Thread Author Last Post Replies

How many of you uses Fullprof?

shettigarroshni432
Thu, 09 Jul 2020 06:55:00 GMT
Anonymous
1

Script to generate Mogul data from for a series of compounds?

Anonymous
Mon, 22 Jun 2020 07:12:02 GMT
Anonymous
0

Get molecules names from crystal.

Anonymous
Fri, 24 Apr 2020 19:45:51 GMT
Anonymous
0

Best way to deternine molecular Point group?

CSD Solid Form Module 
Simon Clevers
Mon, 27 Jan 2020 14:31:47 GMT
Simon Clevers
0

Find bond distance with crystal structure.

Anonymous
Mon, 07 Oct 2019 20:38:58 GMT
Anonymous
2

Convert CIF to SMILES

Gabriel Alejandro Valdivia Berroeta
Fri, 04 Oct 2019 15:39:20 GMT
Gabriel Alejandro Valdivia Berroeta
0

how to change HbondCoordination settings?

Anonymous
Thu, 15 Aug 2019 20:58:28 GMT
Anonymous
0

Solvent molecule removel from the crystallographic data

Karlis Berzins
Mon, 08 Jul 2019 01:42:49 GMT
Bulat Gabidullin
1

Symmetry of Wyckoff position

Anonymous
Sun, 05 May 2019 11:18:41 GMT
Anonymous
0

Adding atoms as donors/acceptor to hbonds of crystal

Anonymous
Mon, 12 Nov 2018 17:07:02 GMT
Richard Sykes [CCDC Staff]
1

Electron density

Anonymous
Wed, 07 Nov 2018 16:32:20 GMT
Seth Wiggin [CCDC Staff]
1

Coordinates of all the molecules in the unit cell

Tahereh
Wed, 31 Oct 2018 15:18:50 GMT
Tahereh
6

calculating atom distance across the unit cell boundary

CSD 
Xiwen Jia
Sun, 07 Oct 2018 10:39:48 GMT
Anonymous
5

Change spacegroup to subgroup

Aurora Cruz Cabeza
Mon, 06 Aug 2018 13:54:46 GMT
Richard Sykes [CCDC Staff]
3

How many different element types in a structure?

ConQuest Mercury CSD Database Group 
Caroline Davies
Thu, 24 May 2018 09:15:07 GMT
Caroline Davies
0

Downloading a long list of structures

CSD Database Group 
Anthony Nash
Thu, 10 May 2018 16:34:25 GMT
Richard Sykes [CCDC Staff]
1

finding covalently bonded clusters in crystal structures

CSD 
Xiwen Jia
Thu, 22 Jun 2017 21:36:18 GMT
Xiwen Jia
14

Saving Partial Coordinates Based on Search Query

ConQuest CSD 
Marc Reid
Fri, 31 Mar 2017 12:48:33 GMT
Marc Reid
2

Deeper Crystal Search Configuration

Dean Ottewell
Thu, 16 Mar 2017 14:15:52 GMT
Dean Ottewell
7

Problem with kekulize() of AFUWEE

Anonymous
Mon, 26 Sep 2016 07:49:43 GMT
Anonymous
2

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