Mercurial > repos > marpiech > norwich_docking_tools

annotate tools/rdock/bin/make_grid.csh @ 2:0faa03a92843 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Uploaded
author dzesikah
date Fri, 26 Aug 2016 10:19:49 -0400
parents
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
2
0faa03a92843 Uploaded
dzesikah
parents:
diff changeset
1 #!/bin/csh -f
0faa03a92843 Uploaded
dzesikah
parents:
diff changeset
2 # Creates vdW grids for all receptor prm files listed on command line
0faa03a92843 Uploaded
dzesikah
parents:
diff changeset
3 #
0faa03a92843 Uploaded
dzesikah
parents:
diff changeset
4 set gridstep = 0.3
0faa03a92843 Uploaded
dzesikah
parents:
diff changeset
5 set border = 1.0
0faa03a92843 Uploaded
dzesikah
parents:
diff changeset
6
0faa03a92843 Uploaded
dzesikah
parents:
diff changeset
7 foreach grid ('vdw1' 'vdw5')
0faa03a92843 Uploaded
dzesikah
parents:
diff changeset
8 foreach file ($argv)
0faa03a92843 Uploaded
dzesikah
parents:
diff changeset
9 $RBT_ROOT/bin/rbcalcgrid -r${file} -pcalcgrid_${grid}.prm -o_${grid}.grd -g${gridstep} -b${border}
0faa03a92843 Uploaded
dzesikah
parents:
diff changeset
10 end
0faa03a92843 Uploaded
dzesikah
parents:
diff changeset
11 end