Thread Author Last Post Replies

Renumbering Atoms in mol2 files to create specific constraints for GOLD Docking

Suliman Sharif
Sat, 22 Apr 2017 05:43:31 GMT
Suliman Sharif
0

Script to compare protein bound ligand conformations to CSD Conformer

conformer 
Alicia Higueruelo [CCDC Staff]
Fri, 11 Dec 2015 14:06:23 GMT
Alicia Higueruelo [CCDC Staff]
1

Script to filter molecular conformers with unusual torsion angles

conformer 
Paul Sanschagrin [CCDC Staff]
Mon, 06 Jul 2015 14:04:43 GMT
Paul Sanschagrin [CCDC Staff]
0

Script to merge GOLD docking results

io 
Paul Sanschagrin [CCDC Staff]
Mon, 06 Jul 2015 13:48:11 GMT
Paul Sanschagrin [CCDC Staff]
0

Script to extract unique rings of a specified size from the CSD

io molecule search entry 
Christin Schaerfer [CCDC Staff]
Mon, 06 Jul 2015 10:52:42 GMT
Christin Schaerfer [CCDC Staff]
0

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