Thread Author Last Post Replies
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Version 1.5.1 released!

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

Welcome to this forum. Please introduce yourself.

Stewart Adcock [CCDC Staff]
Wed, 03 Aug 2016 14:32:11 GMT
Khalil Abboud
8
 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

Searching the database based on structure void space

Martin Ward
Tue, 24 Apr 2018 19:44:19 GMT
Paul Sanschagrin [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 [CCDC Staff]
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

Strange results from TextNumericSearch

Paul Hodgkinson
Mon, 27 Mar 2017 15:09:16 GMT
Richard Sykes [CCDC Staff]
3

Crystal density calculations

Karlis Berzins
Wed, 22 Feb 2017 11:59:24 GMT
Karlis Berzins
0

Providing input to a Mercury called script

Paul Sanschagrin [CCDC Staff]
Thu, 08 Dec 2016 09:58:47 GMT
Peter Wood [CCDC Staff]
1

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 [CCDC Staff]
5

Output search results as program runs

Fiorella Ruggiu
Fri, 19 Feb 2016 21:03:25 GMT
Paul Sanschagrin [CCDC Staff]
1

"Compound" field in entry/crystal/molecule classes

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

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