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view test-data/protein_flex.pdbqt @ 9:90ea16534012 draft default tip

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
author bgruening
date Tue, 21 Dec 2021 14:18:33 +0000
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BEGIN_RES THR A 315
REMARK  2 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: CA   and  CB  
REMARK    2  A    between atoms: CB   and  OG1 
ROOT
ATOM      1  CA  THR A 315      13.079  52.503   8.093  1.00 45.40     0.205 C 
ENDROOT
BRANCH   1   2
ATOM      2  CB  THR A 315      13.429  52.900   9.553  1.00 45.76     0.146 C 
ATOM      3  CG2 THR A 315      12.339  53.679  10.200  1.00 42.73     0.042 C 
BRANCH   2   4
ATOM      4  OG1 THR A 315      13.724  51.718  10.307  1.00 47.20    -0.393 OA
ATOM      5  HG1 THR A 315      13.915  51.930  11.097  1.00 47.20     0.210 HD
ENDBRANCH   2   4
ENDBRANCH   1   2
END_RES THR A 315