Thread Author Last Post Replies
 Pinned

Welcome to this forum. Please introduce yourself.

Stewart Adcock [CCDC Staff]
Sun, 07 Oct 2018 09:43:14 GMT
Vladimir Korzinov
9
 Closed  Pinned

Version 1.5.3 released!

Peter Wood [CCDC Staff]
Mon, 27 Nov 2017 12:38:12 GMT
Peter Wood [CCDC Staff]
0
 Closed  Pinned

Welcome to the CSD Python API Forum

Peter Wood [CCDC Staff]
Mon, 29 Jun 2015 15:55:10 GMT
Peter Wood [CCDC Staff]
0

WARNING: Matching failed for one 3D molecule

Vladimir Korzinov
Wed, 17 Oct 2018 09:24:26 GMT
Vladimir Korzinov
2

Jupyter notebook for CSD-python-API

Anonymous
Mon, 15 Oct 2018 17:34:24 GMT
Anonymous
11

SMILES code of MOF sub-database

Anonymous
Tue, 09 Oct 2018 15:12:42 GMT
Richard Sykes [CCDC Staff]
5

Writing crystals

CSD 
Puck van Gerwen
Mon, 24 Sep 2018 09:09:22 GMT
Anonymous
4

Searching the database based on structure void space

Martin Ward
Wed, 29 Aug 2018 16:57:07 GMT
Anonymous
9

"A bond is not in the molecule"

Anonymous
Wed, 15 Aug 2018 15:53:48 GMT
Anonymous
2

Python3 Version of the Python API

Anonymous
Wed, 15 Aug 2018 15:09:55 GMT
Anonymous
2

Molecular formula and weight

CSD CSD System Mercury 
Ioana Sovago
Wed, 04 Jul 2018 16:28:48 GMT
Ioana Sovago
0

Programmatic access to data

CSD 
Joshua Schrier
Fri, 08 Jun 2018 10:27:15 GMT
Stewart Adcock [CCDC Staff]
3

Compare Molecule Similarity Pseudocode

CSD 
Bagnall
Mon, 14 May 2018 07:37:13 GMT
Richard Sykes [CCDC Staff]
3

Filtering CSD for molecules with no disorder

CSD 
Puck van Gerwen
Wed, 18 Apr 2018 10:58:20 GMT
Richard Sykes [CCDC Staff]
3

Python for beginners

Louisa Quegan
Wed, 12 Aug 2015 13:54:30 GMT
Christin Schaerfer [CCDC Staff]
4

empty result for what seem a reasonable query

CSD 
Pascal Parois
Mon, 06 Nov 2017 15:53:34 GMT
Richard Sykes [CCDC Staff]
7

normalise hydrogen position

ConQuest CSD 
David Schaller
Sun, 08 Oct 2017 09:39:03 GMT
David Schaller
4

Filter components of molecules?

Ryan Hays
Thu, 07 Sep 2017 14:22:54 GMT
Richard Sykes [CCDC Staff]
1

H-bond propensities

Geoffrey Wood
Fri, 05 May 2017 07:40:03 GMT
Richard Sykes [CCDC Staff]
1

Combine queries?

Pascal Parois
Thu, 20 Apr 2017 13:45:21 GMT
Pascal Parois
6

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