Mercurial > repos > chemteam > gmx_get_builtin_file
diff get_builtin_file.xml @ 0:a81256d23782 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit a8eac146d0f6b9696f4afaaaa96891e8e324f78e"
| author | chemteam |
|---|---|
| date | Tue, 21 Dec 2021 13:45:19 +0000 |
| parents | |
| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/get_builtin_file.xml Tue Dec 21 13:45:19 2021 +0000 @@ -0,0 +1,495 @@ +<tool id="gmx_get_builtin_file" name="GROMACS copy file" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> + <description>from built-in datasets</description> + <macros> + <import>macros.xml</import> + <token name="@GALAXY_VERSION@">0</token> + </macros> + + <expand macro="requirements" /> + + <command detect_errors="exit_code"><![CDATA[ + cp "\$GMXDATA"'/top/${filename}' '${output1}' + ]]></command> + <inputs> + <param name="filename" type="select" label="File to copy"> + <option value="table6-12.xvg">table6-12.xvg</option> + <option value="nsfactor.dat">nsfactor.dat</option> + <option value="xlateat.dat">xlateat.dat</option> + <option value="spc216.gro">spc216.gro</option> + <option value="residues.xml">residues.xml</option> + <option value="specbond.dat">specbond.dat</option> + <option value="tip5p.gro">tip5p.gro</option> + <option value="table6-10.xvg">table6-10.xvg</option> + <option value="random.dat">random.dat</option> + <option value="atom_nom.tbl">atom_nom.tbl</option> + <option value="cb-shift.dat">cb-shift.dat</option> + <option value="table6-9.xvg">table6-9.xvg</option> + <option value="defselection.dat">defselection.dat</option> + <option value="bonds.dlg">bonds.dlg</option> + <option value="vdwradii.dat">vdwradii.dat</option> + <option value="flexwat-ferguson.itp">flexwat-ferguson.itp</option> + <option value="ps.m2p">ps.m2p</option> + <option value="ffoplsaa-n.tst">ffoplsaa-n.tst</option> + <option value="residues.dtd">residues.dtd</option> + <option value="residuetypes.dat">residuetypes.dat</option> + <option value="table6-8.xvg">table6-8.xvg</option> + <option value="sfactor.dat">sfactor.dat</option> + <option value="co-shift.dat">co-shift.dat</option> + <option value="ha-shift.dat">ha-shift.dat</option> + <option value="ss.map">ss.map</option> + <option value="ca-shift.dat">ca-shift.dat</option> + <option value="vdw-msms.dat">vdw-msms.dat</option> + <option value="atommass.dat">atommass.dat</option> + <option value="dgsolv.dat">dgsolv.dat</option> + <option value="surface.dat">surface.dat</option> + <option value="electroneg.dat">electroneg.dat</option> + <option value="sw.itp">sw.itp</option> + <option value="tip4p.gro">tip4p.gro</option> + <option value="refi_aa.dat">refi_aa.dat</option> + <option value="edissoc.dat">edissoc.dat</option> + <option value="table6-11.xvg">table6-11.xvg</option> + <option value="phbres.dat">phbres.dat</option> + <option value="export.dlg">export.dlg</option> + <option value="elements.dat">elements.dat</option> + <option value="charmm27.ff/lipids.rtp">charmm27.ff/lipids.rtp</option> + <option value="charmm27.ff/rna.c.tdb">charmm27.ff/rna.c.tdb</option> + <option value="charmm27.ff/forcefield.doc">charmm27.ff/forcefield.doc</option> + <option value="charmm27.ff/ffnanonbonded.itp">charmm27.ff/ffnanonbonded.itp</option> + <option value="charmm27.ff/atomtypes.atp">charmm27.ff/atomtypes.atp</option> + <option value="charmm27.ff/watermodels.dat">charmm27.ff/watermodels.dat</option> + <option value="charmm27.ff/tip4p.itp">charmm27.ff/tip4p.itp</option> + <option value="charmm27.ff/dna.c.tdb">charmm27.ff/dna.c.tdb</option> + <option value="charmm27.ff/ions.itp">charmm27.ff/ions.itp</option> + <option value="charmm27.ff/spc.itp">charmm27.ff/spc.itp</option> + <option value="charmm27.ff/aminoacids.vsd">charmm27.ff/aminoacids.vsd</option> + <option value="charmm27.ff/spce.itp">charmm27.ff/spce.itp</option> + <option value="charmm27.ff/tip5p.itp">charmm27.ff/tip5p.itp</option> + <option value="charmm27.ff/rna.arn">charmm27.ff/rna.arn</option> + <option value="charmm27.ff/aminoacids.n.tdb">charmm27.ff/aminoacids.n.tdb</option> + <option value="charmm27.ff/rna.rtp">charmm27.ff/rna.rtp</option> + <option value="charmm27.ff/ffbonded.itp">charmm27.ff/ffbonded.itp</option> + <option value="charmm27.ff/rna.hdb">charmm27.ff/rna.hdb</option> + <option value="charmm27.ff/aminoacids.arn">charmm27.ff/aminoacids.arn</option> + <option value="charmm27.ff/ffnonbonded.itp">charmm27.ff/ffnonbonded.itp</option> + <option value="charmm27.ff/tip3p.itp">charmm27.ff/tip3p.itp</option> + <option value="charmm27.ff/tips3p.itp">charmm27.ff/tips3p.itp</option> + <option value="charmm27.ff/dna.hdb">charmm27.ff/dna.hdb</option> + <option value="charmm27.ff/dna.rtp">charmm27.ff/dna.rtp</option> + <option value="charmm27.ff/aminoacids.hdb">charmm27.ff/aminoacids.hdb</option> + <option value="charmm27.ff/ffnabonded.itp">charmm27.ff/ffnabonded.itp</option> + <option value="charmm27.ff/aminoacids.c.tdb">charmm27.ff/aminoacids.c.tdb</option> + <option value="charmm27.ff/aminoacids.rtp">charmm27.ff/aminoacids.rtp</option> + <option value="charmm27.ff/dna.n.tdb">charmm27.ff/dna.n.tdb</option> + <option value="charmm27.ff/dna.arn">charmm27.ff/dna.arn</option> + <option value="charmm27.ff/rna.n.tdb">charmm27.ff/rna.n.tdb</option> + <option value="charmm27.ff/rna.r2b">charmm27.ff/rna.r2b</option> + <option value="charmm27.ff/aminoacids.r2b">charmm27.ff/aminoacids.r2b</option> + <option value="charmm27.ff/cmap.itp">charmm27.ff/cmap.itp</option> + <option value="charmm27.ff/forcefield.itp">charmm27.ff/forcefield.itp</option> + <option value="charmm27.ff/lipids.hdb">charmm27.ff/lipids.hdb</option> + <option value="amber03.ff/forcefield.doc">amber03.ff/forcefield.doc</option> + <option value="amber03.ff/atomtypes.atp">amber03.ff/atomtypes.atp</option> + <option value="amber03.ff/watermodels.dat">amber03.ff/watermodels.dat</option> + <option value="amber03.ff/tip4p.itp">amber03.ff/tip4p.itp</option> + <option value="amber03.ff/ions.itp">amber03.ff/ions.itp</option> + <option value="amber03.ff/spc.itp">amber03.ff/spc.itp</option> + <option value="amber03.ff/aminoacids.vsd">amber03.ff/aminoacids.vsd</option> + <option 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value="gromos54a7.ff/tip3p.itp">gromos54a7.ff/tip3p.itp</option> + <option value="gromos54a7.ff/aminoacids.hdb">gromos54a7.ff/aminoacids.hdb</option> + <option value="gromos54a7.ff/aminoacids.c.tdb">gromos54a7.ff/aminoacids.c.tdb</option> + <option value="gromos54a7.ff/aminoacids.rtp">gromos54a7.ff/aminoacids.rtp</option> + <option value="gromos54a7.ff/aminoacids.r2b">gromos54a7.ff/aminoacids.r2b</option> + <option value="gromos54a7.ff/forcefield.itp">gromos54a7.ff/forcefield.itp</option> + <option value="amber99sb-ildn.ff/forcefield.doc">amber99sb-ildn.ff/forcefield.doc</option> + <option value="amber99sb-ildn.ff/atomtypes.atp">amber99sb-ildn.ff/atomtypes.atp</option> + <option value="amber99sb-ildn.ff/watermodels.dat">amber99sb-ildn.ff/watermodels.dat</option> + <option value="amber99sb-ildn.ff/tip4p.itp">amber99sb-ildn.ff/tip4p.itp</option> + <option value="amber99sb-ildn.ff/ions.itp">amber99sb-ildn.ff/ions.itp</option> + <option value="amber99sb-ildn.ff/spc.itp">amber99sb-ildn.ff/spc.itp</option> + <option value="amber99sb-ildn.ff/aminoacids.vsd">amber99sb-ildn.ff/aminoacids.vsd</option> + <option value="amber99sb-ildn.ff/spce.itp">amber99sb-ildn.ff/spce.itp</option> + <option value="amber99sb-ildn.ff/tip5p.itp">amber99sb-ildn.ff/tip5p.itp</option> + <option value="amber99sb-ildn.ff/rna.arn">amber99sb-ildn.ff/rna.arn</option> + <option value="amber99sb-ildn.ff/aminoacids.n.tdb">amber99sb-ildn.ff/aminoacids.n.tdb</option> + <option value="amber99sb-ildn.ff/rna.rtp">amber99sb-ildn.ff/rna.rtp</option> + <option value="amber99sb-ildn.ff/ffbonded.itp">amber99sb-ildn.ff/ffbonded.itp</option> + <option value="amber99sb-ildn.ff/rna.hdb">amber99sb-ildn.ff/rna.hdb</option> + <option value="amber99sb-ildn.ff/aminoacids.arn">amber99sb-ildn.ff/aminoacids.arn</option> + <option value="amber99sb-ildn.ff/ffnonbonded.itp">amber99sb-ildn.ff/ffnonbonded.itp</option> + <option value="amber99sb-ildn.ff/urea.itp">amber99sb-ildn.ff/urea.itp</option> + <option value="amber99sb-ildn.ff/tip3p.itp">amber99sb-ildn.ff/tip3p.itp</option> + <option value="amber99sb-ildn.ff/dna.hdb">amber99sb-ildn.ff/dna.hdb</option> + <option value="amber99sb-ildn.ff/dna.rtp">amber99sb-ildn.ff/dna.rtp</option> + <option value="amber99sb-ildn.ff/aminoacids.hdb">amber99sb-ildn.ff/aminoacids.hdb</option> + <option value="amber99sb-ildn.ff/aminoacids.c.tdb">amber99sb-ildn.ff/aminoacids.c.tdb</option> + <option value="amber99sb-ildn.ff/tip4pew.itp">amber99sb-ildn.ff/tip4pew.itp</option> + <option value="amber99sb-ildn.ff/aminoacids.rtp">amber99sb-ildn.ff/aminoacids.rtp</option> + <option value="amber99sb-ildn.ff/dna.r2b">amber99sb-ildn.ff/dna.r2b</option> + <option value="amber99sb-ildn.ff/dna.arn">amber99sb-ildn.ff/dna.arn</option> + <option value="amber99sb-ildn.ff/rna.r2b">amber99sb-ildn.ff/rna.r2b</option> + <option value="amber99sb-ildn.ff/aminoacids.r2b">amber99sb-ildn.ff/aminoacids.r2b</option> + <option value="amber99sb-ildn.ff/forcefield.itp">amber99sb-ildn.ff/forcefield.itp</option> + <option value="gromos53a5.ff/ff_dum.itp">gromos53a5.ff/ff_dum.itp</option> + <option value="gromos53a5.ff/forcefield.doc">gromos53a5.ff/forcefield.doc</option> + <option value="gromos53a5.ff/atomtypes.atp">gromos53a5.ff/atomtypes.atp</option> + <option value="gromos53a5.ff/watermodels.dat">gromos53a5.ff/watermodels.dat</option> + <option value="gromos53a5.ff/tip4p.itp">gromos53a5.ff/tip4p.itp</option> + <option value="gromos53a5.ff/ions.itp">gromos53a5.ff/ions.itp</option> + <option value="gromos53a5.ff/spc.itp">gromos53a5.ff/spc.itp</option> + <option value="gromos53a5.ff/aminoacids.vsd">gromos53a5.ff/aminoacids.vsd</option> + <option value="gromos53a5.ff/spce.itp">gromos53a5.ff/spce.itp</option> + <option value="gromos53a5.ff/aminoacids.n.tdb">gromos53a5.ff/aminoacids.n.tdb</option> + <option value="gromos53a5.ff/ffbonded.itp">gromos53a5.ff/ffbonded.itp</option> + <option value="gromos53a5.ff/ffnonbonded.itp">gromos53a5.ff/ffnonbonded.itp</option> + <option value="gromos53a5.ff/tip3p.itp">gromos53a5.ff/tip3p.itp</option> + <option value="gromos53a5.ff/aminoacids.hdb">gromos53a5.ff/aminoacids.hdb</option> + <option value="gromos53a5.ff/aminoacids.c.tdb">gromos53a5.ff/aminoacids.c.tdb</option> + <option value="gromos53a5.ff/aminoacids.rtp">gromos53a5.ff/aminoacids.rtp</option> + <option value="gromos53a5.ff/aminoacids.r2b">gromos53a5.ff/aminoacids.r2b</option> + <option value="gromos53a5.ff/forcefield.itp">gromos53a5.ff/forcefield.itp</option> + <option value="gromos53a5.ff/atomname2type.n2t">gromos53a5.ff/atomname2type.n2t</option> + <option value="amberGS.ff/forcefield.doc">amberGS.ff/forcefield.doc</option> + <option value="amberGS.ff/atomtypes.atp">amberGS.ff/atomtypes.atp</option> + <option value="amberGS.ff/watermodels.dat">amberGS.ff/watermodels.dat</option> + <option value="amberGS.ff/tip4p.itp">amberGS.ff/tip4p.itp</option> + <option value="amberGS.ff/ions.itp">amberGS.ff/ions.itp</option> + <option value="amberGS.ff/spc.itp">amberGS.ff/spc.itp</option> + <option value="amberGS.ff/aminoacids.vsd">amberGS.ff/aminoacids.vsd</option> + <option value="amberGS.ff/spce.itp">amberGS.ff/spce.itp</option> + <option value="amberGS.ff/tip5p.itp">amberGS.ff/tip5p.itp</option> + <option value="amberGS.ff/rna.arn">amberGS.ff/rna.arn</option> + <option value="amberGS.ff/aminoacids.n.tdb">amberGS.ff/aminoacids.n.tdb</option> + <option value="amberGS.ff/rna.rtp">amberGS.ff/rna.rtp</option> + <option value="amberGS.ff/ffbonded.itp">amberGS.ff/ffbonded.itp</option> + <option value="amberGS.ff/rna.hdb">amberGS.ff/rna.hdb</option> + <option value="amberGS.ff/aminoacids.arn">amberGS.ff/aminoacids.arn</option> + <option value="amberGS.ff/ffnonbonded.itp">amberGS.ff/ffnonbonded.itp</option> + <option value="amberGS.ff/urea.itp">amberGS.ff/urea.itp</option> + <option value="amberGS.ff/tip3p.itp">amberGS.ff/tip3p.itp</option> + <option value="amberGS.ff/dna.hdb">amberGS.ff/dna.hdb</option> + <option value="amberGS.ff/dna.rtp">amberGS.ff/dna.rtp</option> + <option value="amberGS.ff/aminoacids.hdb">amberGS.ff/aminoacids.hdb</option> + <option value="amberGS.ff/aminoacids.c.tdb">amberGS.ff/aminoacids.c.tdb</option> + <option value="amberGS.ff/tip4pew.itp">amberGS.ff/tip4pew.itp</option> + <option value="amberGS.ff/aminoacids.rtp">amberGS.ff/aminoacids.rtp</option> + <option value="amberGS.ff/dna.r2b">amberGS.ff/dna.r2b</option> + <option value="amberGS.ff/dna.arn">amberGS.ff/dna.arn</option> + <option value="amberGS.ff/rna.r2b">amberGS.ff/rna.r2b</option> + <option value="amberGS.ff/aminoacids.r2b">amberGS.ff/aminoacids.r2b</option> + <option value="amberGS.ff/forcefield.itp">amberGS.ff/forcefield.itp</option> + <option value="amber96.ff/forcefield.doc">amber96.ff/forcefield.doc</option> + <option value="amber96.ff/atomtypes.atp">amber96.ff/atomtypes.atp</option> + <option value="amber96.ff/watermodels.dat">amber96.ff/watermodels.dat</option> + <option value="amber96.ff/tip4p.itp">amber96.ff/tip4p.itp</option> + <option value="amber96.ff/ions.itp">amber96.ff/ions.itp</option> + <option value="amber96.ff/spc.itp">amber96.ff/spc.itp</option> + <option value="amber96.ff/aminoacids.vsd">amber96.ff/aminoacids.vsd</option> + <option value="amber96.ff/spce.itp">amber96.ff/spce.itp</option> + <option value="amber96.ff/tip5p.itp">amber96.ff/tip5p.itp</option> + <option value="amber96.ff/rna.arn">amber96.ff/rna.arn</option> + <option value="amber96.ff/aminoacids.n.tdb">amber96.ff/aminoacids.n.tdb</option> + <option value="amber96.ff/rna.rtp">amber96.ff/rna.rtp</option> + <option value="amber96.ff/ffbonded.itp">amber96.ff/ffbonded.itp</option> + <option value="amber96.ff/rna.hdb">amber96.ff/rna.hdb</option> + <option value="amber96.ff/aminoacids.arn">amber96.ff/aminoacids.arn</option> + <option value="amber96.ff/ffnonbonded.itp">amber96.ff/ffnonbonded.itp</option> + <option value="amber96.ff/urea.itp">amber96.ff/urea.itp</option> + <option value="amber96.ff/tip3p.itp">amber96.ff/tip3p.itp</option> + <option value="amber96.ff/dna.hdb">amber96.ff/dna.hdb</option> + <option value="amber96.ff/dna.rtp">amber96.ff/dna.rtp</option> + <option value="amber96.ff/aminoacids.hdb">amber96.ff/aminoacids.hdb</option> + <option value="amber96.ff/aminoacids.c.tdb">amber96.ff/aminoacids.c.tdb</option> + <option value="amber96.ff/tip4pew.itp">amber96.ff/tip4pew.itp</option> + <option value="amber96.ff/aminoacids.rtp">amber96.ff/aminoacids.rtp</option> + <option value="amber96.ff/dna.r2b">amber96.ff/dna.r2b</option> + <option value="amber96.ff/dna.arn">amber96.ff/dna.arn</option> + <option value="amber96.ff/rna.r2b">amber96.ff/rna.r2b</option> + <option value="amber96.ff/aminoacids.r2b">amber96.ff/aminoacids.r2b</option> + <option value="amber96.ff/forcefield.itp">amber96.ff/forcefield.itp</option> + <option value="gromos53a6.ff/ff_dum.itp">gromos53a6.ff/ff_dum.itp</option> + <option value="gromos53a6.ff/forcefield.doc">gromos53a6.ff/forcefield.doc</option> + <option value="gromos53a6.ff/atomtypes.atp">gromos53a6.ff/atomtypes.atp</option> + <option value="gromos53a6.ff/watermodels.dat">gromos53a6.ff/watermodels.dat</option> + <option value="gromos53a6.ff/tip4p.itp">gromos53a6.ff/tip4p.itp</option> + <option value="gromos53a6.ff/ions.itp">gromos53a6.ff/ions.itp</option> + <option value="gromos53a6.ff/spc.itp">gromos53a6.ff/spc.itp</option> + <option value="gromos53a6.ff/aminoacids.vsd">gromos53a6.ff/aminoacids.vsd</option> + <option value="gromos53a6.ff/spce.itp">gromos53a6.ff/spce.itp</option> + <option value="gromos53a6.ff/aminoacids.n.tdb">gromos53a6.ff/aminoacids.n.tdb</option> + <option value="gromos53a6.ff/ffbonded.itp">gromos53a6.ff/ffbonded.itp</option> + <option value="gromos53a6.ff/ffnonbonded.itp">gromos53a6.ff/ffnonbonded.itp</option> + <option value="gromos53a6.ff/tip3p.itp">gromos53a6.ff/tip3p.itp</option> + <option value="gromos53a6.ff/aminoacids.hdb">gromos53a6.ff/aminoacids.hdb</option> + <option value="gromos53a6.ff/aminoacids.c.tdb">gromos53a6.ff/aminoacids.c.tdb</option> + <option value="gromos53a6.ff/aminoacids.rtp">gromos53a6.ff/aminoacids.rtp</option> + <option value="gromos53a6.ff/aminoacids.r2b">gromos53a6.ff/aminoacids.r2b</option> + <option value="gromos53a6.ff/forcefield.itp">gromos53a6.ff/forcefield.itp</option> + <option value="gromos43a1.ff/ff_dum.itp">gromos43a1.ff/ff_dum.itp</option> + <option value="gromos43a1.ff/forcefield.doc">gromos43a1.ff/forcefield.doc</option> + <option value="gromos43a1.ff/atomtypes.atp">gromos43a1.ff/atomtypes.atp</option> + <option value="gromos43a1.ff/watermodels.dat">gromos43a1.ff/watermodels.dat</option> + <option value="gromos43a1.ff/tip4p.itp">gromos43a1.ff/tip4p.itp</option> + <option value="gromos43a1.ff/ions.itp">gromos43a1.ff/ions.itp</option> + <option value="gromos43a1.ff/spc.itp">gromos43a1.ff/spc.itp</option> + <option value="gromos43a1.ff/aminoacids.vsd">gromos43a1.ff/aminoacids.vsd</option> + <option value="gromos43a1.ff/spce.itp">gromos43a1.ff/spce.itp</option> + <option value="gromos43a1.ff/aminoacids.n.tdb">gromos43a1.ff/aminoacids.n.tdb</option> + <option value="gromos43a1.ff/ffbonded.itp">gromos43a1.ff/ffbonded.itp</option> + <option value="gromos43a1.ff/ffnonbonded.itp">gromos43a1.ff/ffnonbonded.itp</option> + <option value="gromos43a1.ff/tip3p.itp">gromos43a1.ff/tip3p.itp</option> + <option value="gromos43a1.ff/aminoacids.hdb">gromos43a1.ff/aminoacids.hdb</option> + <option value="gromos43a1.ff/aminoacids.c.tdb">gromos43a1.ff/aminoacids.c.tdb</option> + <option value="gromos43a1.ff/methanol.itp">gromos43a1.ff/methanol.itp</option> + <option value="gromos43a1.ff/aminoacids.rtp">gromos43a1.ff/aminoacids.rtp</option> + <option value="gromos43a1.ff/aminoacids.r2b">gromos43a1.ff/aminoacids.r2b</option> + <option value="gromos43a1.ff/methanol216.gro">gromos43a1.ff/methanol216.gro</option> + <option value="gromos43a1.ff/forcefield.itp">gromos43a1.ff/forcefield.itp</option> + <option value="amber99.ff/forcefield.doc">amber99.ff/forcefield.doc</option> + <option value="amber99.ff/atomtypes.atp">amber99.ff/atomtypes.atp</option> + <option value="amber99.ff/watermodels.dat">amber99.ff/watermodels.dat</option> + <option value="amber99.ff/tip4p.itp">amber99.ff/tip4p.itp</option> + <option value="amber99.ff/ions.itp">amber99.ff/ions.itp</option> + <option value="amber99.ff/spc.itp">amber99.ff/spc.itp</option> + <option value="amber99.ff/aminoacids.vsd">amber99.ff/aminoacids.vsd</option> + <option value="amber99.ff/spce.itp">amber99.ff/spce.itp</option> + <option value="amber99.ff/tip5p.itp">amber99.ff/tip5p.itp</option> + <option value="amber99.ff/rna.arn">amber99.ff/rna.arn</option> + <option value="amber99.ff/aminoacids.n.tdb">amber99.ff/aminoacids.n.tdb</option> + <option value="amber99.ff/rna.rtp">amber99.ff/rna.rtp</option> + <option value="amber99.ff/ffbonded.itp">amber99.ff/ffbonded.itp</option> + <option value="amber99.ff/rna.hdb">amber99.ff/rna.hdb</option> + <option value="amber99.ff/aminoacids.arn">amber99.ff/aminoacids.arn</option> + <option value="amber99.ff/ffnonbonded.itp">amber99.ff/ffnonbonded.itp</option> + <option value="amber99.ff/urea.itp">amber99.ff/urea.itp</option> + <option value="amber99.ff/tip3p.itp">amber99.ff/tip3p.itp</option> + <option value="amber99.ff/dna.hdb">amber99.ff/dna.hdb</option> + <option value="amber99.ff/dna.rtp">amber99.ff/dna.rtp</option> + <option value="amber99.ff/aminoacids.hdb">amber99.ff/aminoacids.hdb</option> + <option value="amber99.ff/aminoacids.c.tdb">amber99.ff/aminoacids.c.tdb</option> + <option value="amber99.ff/tip4pew.itp">amber99.ff/tip4pew.itp</option> + <option value="amber99.ff/aminoacids.rtp">amber99.ff/aminoacids.rtp</option> + <option value="amber99.ff/dna.r2b">amber99.ff/dna.r2b</option> + <option value="amber99.ff/dna.arn">amber99.ff/dna.arn</option> + <option value="amber99.ff/rna.r2b">amber99.ff/rna.r2b</option> + <option value="amber99.ff/aminoacids.r2b">amber99.ff/aminoacids.r2b</option> + <option value="amber99.ff/forcefield.itp">amber99.ff/forcefield.itp</option> + </param> + </inputs> + <outputs> + <!-- formats ['xvg', 'dat', 'itp', 'gro', 'xml', 'tbl', 'dlg', 'm2p', 'tst', 'dtd', 'README', 'map', 'rtp', 'tdb', 'doc', 'atp', 'vsd', 'arn', 'hdb', 'r2b', 'n2t'] --> + <data name="output1" format="txt" label="GROMACS built-in: ${filename}"> + <change_format> + <when input="${str($filename).split('.')[-1]}" value="xvg" format="xvg" /> + <!-- <when input="${str($filename).split('.')[-1]}" value="dat" format="dat" /> --> + <when input="${str($filename).split('.')[-1]}" value="itp" format="itp" /> + <when input="${str($filename).split('.')[-1]}" value="gro" format="gro" /> + <when input="${str($filename).split('.')[-1]}" value="xml" format="xml" /> + <!-- <when input="${str($filename).split('.')[-1]}" value="tbl" format="tbl" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="dlg" format="dlg" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="m2p" format="m2p" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="tst" format="tst" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="dtd" format="dtd" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="README" format="README" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="map" format="map" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="rtp" format="rtp" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="tdb" format="tdb" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="doc" format="doc" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="atp" format="atp" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="vsd" format="vsd" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="arn" format="arn" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="hdb" format="hdb" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="r2b" format="r2b" /> --> + <!-- <when input="${str($filename).split('.')[-1]}" value="n2t" format="n2t" /> --> + </change_format> + </data> + </outputs> + <tests> + <test> + <param name="filename" value="oplsaa.ff/tip4p.itp" /> + <output name="output1" file="oplsaa.ff-tip4p.itp" ftype="itp" /> + </test> + </tests> + <help><![CDATA[ + +.. class:: infomark + +**What it does** + +Loads a built-in GROMACS file into your history. + +_____ + +.. class:: infomark + +**Input** + + - Filename. + +_____ + + +.. class:: infomark + +**Output** + + - GROMACS file. + + ]]></help> + + <expand macro="citations" /> +</tool>