Thread Author Last Post Replies
 Closed  Pinned

Version 2.1.0 released!

CSD CSD System 
Peter Wood [CCDC Staff]
Fri, 08 Mar 2019 11:09:01 GMT
Dave Bardwell [CCDC Staff]
1
 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

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
Fri, 15 Mar 2019 10:14:23 GMT
Anonymous
3

Entry not found in Python API, but found online when searching by CCDC

Andrew Tarzia
Thu, 28 Feb 2019 09:27:57 GMT
Richard Sykes [CCDC Staff]
1

Python for beginners

Louisa Quegan
Wed, 12 Aug 2015 13:54:30 GMT
Christin Schaerfer
4

Python3 Version of the Python API

Anonymous
Wed, 30 Jan 2019 10:19:28 GMT
Peter Wood [CCDC Staff]
3

about Hbond search

Anonymous
Wed, 02 Jan 2019 09:55:29 GMT
Richard Sykes [CCDC Staff]
1

problems about install python-api-2.0 in centos7.5

Anonymous
Tue, 01 Jan 2019 11:17:45 GMT
Dave Bardwell [CCDC Staff]
1

Save entire sdf

Jose Manuel Suárez
Mon, 12 Nov 2018 09:18:51 GMT
Richard Sykes [CCDC Staff]
1

Data mining bond lengths

Anonymous
Mon, 05 Nov 2018 09:10:06 GMT
Richard Sykes [CCDC Staff]
1

Jupyter notebook for CSD-python-API

Anonymous
Wed, 17 Oct 2018 14:33:53 GMT
Richard Sykes [CCDC Staff]
12

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

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

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