Thread Author Last Post Replies

Counting hydrogen bonds: Crystal() vs. Molecule() behaviour

Chris Taylor
Mon, 14 Nov 2016 13:44:04 GMT
Chris Taylor
2
 Closed

Version 1.3 released!

Peter Wood [CCDC Staff]
Thu, 17 Nov 2016 11:10:02 GMT
Peter Wood [CCDC Staff]
0

Peculiar behaviour of remove_hydrogens

David Cosgrove
Tue, 20 Sep 2016 17:35:32 GMT
David Cosgrove
2

What code editors do you use for writing Python scripts?

Andy Maloney [CCDC Staff]
Mon, 21 Sep 2015 15:35:59 GMT
Stefano Mazzucco
5

Output search results as program runs

Fiorella Ruggiu
Fri, 19 Feb 2016 21:03:25 GMT
Paul Sanschagrin
1

"Compound" field in entry/crystal/molecule classes

Geoffrey Wood
Wed, 26 Aug 2015 17:51:34 GMT
Geoffrey Wood
2

Your wishlist for the CSD Python API?

Stewart Adcock [CCDC Staff]
Tue, 24 Nov 2015 16:59:38 GMT
Stewart Adcock [CCDC Staff]
1

Modules under development in the API

Stewart Adcock [CCDC Staff]
Tue, 24 Nov 2015 16:55:04 GMT
Stewart Adcock [CCDC Staff]
1

Version 1.0 released!

Peter Wood [CCDC Staff]
Fri, 20 Nov 2015 16:00:05 GMT
Peter Wood [CCDC Staff]
0

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

Anonymous
Tue, 28 Jul 2015 13:55:31 GMT
Anonymous
0

Script to generate diagrams for all molecules in a structure file

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

Anonymous
Tue, 07 Jul 2015 08:26:06 GMT
Anonymous
0

Script to obtain PubChem information for a CSD entry

Paul Sanschagrin
Mon, 06 Jul 2015 15:13:31 GMT
Paul Sanschagrin
0

Script to run many substructure searches & collate results

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

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