Thread Author Last Post Replies

Script to write crystal14 input files from list of refcodes

Rachel Skyner
Sat, 19 Sep 2015 13:46:52 GMT
Rachel Skyner
0

converting a directory of mol2 files to cif files

Koen Robeyns
Fri, 18 Sep 2015 10:38:43 GMT
Koen Robeyns
2

Script to Combine CIF files

crystal 
Shyam Vyas [CCDC Staff]
Tue, 28 Jul 2015 13:55:31 GMT
Shyam Vyas [CCDC Staff]
0

Script to generate diagrams for all molecules in a structure file

diagram 
Andy Maloney [CCDC Staff]
Tue, 07 Jul 2015 09:16:28 GMT
Andy Maloney [CCDC Staff]
0

Script to send a Mol2 (or CIF) file to an external application

utilities io 
Matthew Towler
Tue, 07 Jul 2015 08:26:06 GMT
Matthew Towler
0

Script to obtain PubChem information for a CSD entry

molecule search 
Paul Sanschagrin [CCDC Staff]
Mon, 06 Jul 2015 15:13:31 GMT
Paul Sanschagrin [CCDC Staff]
0

Script to run many substructure searches & collate results

search 
Peter Wood [CCDC Staff]
Mon, 06 Jul 2015 11:00:32 GMT
Peter Wood [CCDC Staff]
0

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