Discovery - The Cambridge Crystallographic Data Centre (CCDC)

	Thread	Author	Last Post	Replies
	Difficulties using docker CCDC cheminformatics CSD CSD Python API Docking Drug Discovery GOLD	Leo Roke	Tue, 11 May 2021 13:45:48 GMT Leo Roke	1
	GoldMine functions using the CSD API GOLD Goldmine	Jordan McCone	Tue, 02 Apr 2019 20:04:41 GMT Jordan McCone	5
	distance constraint from fixed cofactor to substrate (ligand to be docked)	Anonymous	Mon, 26 Nov 2018 17:09:50 GMT Anonymous	14
	Invalid scores when setting distance constraint from cofactor to substrate, ligand to be docked	Anonymous	Mon, 15 Jul 2019 17:58:20 GMT Anonymous	5
	Script to merge GOLD docking results	Paul Sanschagrin	Tue, 26 Feb 2019 09:12:20 GMT Richard Sykes [CCDC Staff]	2
	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	Alicia Higueruelo	Fri, 11 Dec 2015 14:06:23 GMT Alicia Higueruelo	1
	Script to filter molecular conformers with unusual torsion angles	Paul Sanschagrin	Mon, 06 Jul 2015 14:04:43 GMT Paul Sanschagrin	0
	Script to extract unique rings of a specified size from the CSD	Christin Schaerfer	Mon, 06 Jul 2015 10:52:42 GMT Christin Schaerfer	0

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