CSD - Revision history

Khtang at 00:29, 27 March 2020

2020-03-27T00:29:18Z

← Older revision		Revision as of 00:29, 27 March 2020
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	The Cambridge Structural Database contains crystallographic data on small organic molecules (much like the PDB).		The Cambridge Structural Database contains crystallographic data on small organic molecules (much like the PDB).
	Our license ~~for 2014~~ is installed on ~~sgehead~~ in [[~~cluster 1~~]].		Our license is installed on gimel in [[Cluster 2]] (2020-03-26)
			$ source /nfs/soft/csd/csd-2020/env.csh

	~~login to sgehead and run~~ the ~~following command to correctly initialize your environment:~~		To activate the license, become root on gimel
	~~source /nfs/software/csd/current/env.csh~~
	~~You can then run Conquest by executing the command:~~		$ ccdc_activator -A -a -k <activation-key> -f /nfs/soft/csd/csd-2020/csd/csd_license.dat
	cq
	~~In case you are prompted for~~ a ~~licence for any reason, it is located in~~
	/nfs/~~software~~/csd/~~current~~/csd/~~csd_licence~~.dat
	~~If this fails with the error Tcl Error about no display, you may have to login using:~~
	~~ssh -Y sgehead~~
	~~Which forwards your X session.~~
	~~If you want help using ConQuest, try the documentation:~~
	~~http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html~~

	===Applying Data Updates===		===Applying Data Updates===

Benrwong: Added 'How to update CSD with data upgrade'

2019-05-24T18:18:59Z

Added 'How to update CSD with data upgrade'

@@ Line 13: / Line 13: @@
 If you want help using ConQuest, try the documentation:
   http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html
 Return to [[:Category:Software]]

Frodo: asdf

2015-06-03T04:22:18Z

asdf

← Older revision		Revision as of 04:22, 3 June 2015
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	[[Category:Tutorials]]		[[Category:Tutorials]]
	[[Category:Commercial]]		[[Category:Commercial]]
	[[Category:~~Third party software~~]]		[[Category:Software]]

Frodo at 15:34, 18 March 2014

2014-03-18T15:34:36Z

← Older revision		Revision as of 15:34, 18 March 2014
Line 1:		Line 1:
	The Cambridge Structural Database contains crystallographic data on small organic molecules (much like the PDB).		The Cambridge Structural Database contains crystallographic data on small organic molecules (much like the PDB).
	Our license for 2014 is installed on sgehead in [[~~cluster1~~]].		Our license for 2014 is installed on sgehead in [[cluster 1]].

	login to sgehead and run the following command to correctly initialize your environment:		login to sgehead and run the following command to correctly initialize your environment:

Frodo at 15:34, 18 March 2014

2014-03-18T15:34:20Z

← Older revision		Revision as of 15:34, 18 March 2014
Line 1:		Line 1:
	The Cambridge Structural Database contains crystallographic data on small organic molecules (much like the PDB).		The Cambridge Structural Database contains crystallographic data on small organic molecules (much like the PDB).
			Our license for 2014 is installed on sgehead in [[cluster1]].
	~~login to sgehead1 and run the following command to correctly initialize your environment:~~

	~~$ source /raid3/software/csd/current~~.~~csh~~

			login to sgehead and run the following command to correctly initialize your environment:
			source /nfs/software/csd/current/env.csh
	You can then run Conquest by executing the command:		You can then run Conquest by executing the command:
			cq
	$ cq

	~~This will be calling the file: /raid3/software/csd/current/bin/cq~~

	In case you are prompted for a licence for any reason, it is located in		In case you are prompted for a licence for any reason, it is located in
			/nfs/software/csd/current/csd/csd_licence.dat
	/~~raid3~~/software/csd/current/csd/csd_licence.dat

	If this fails with the error Tcl Error about no display, you may have to login using:		If this fails with the error Tcl Error about no display, you may have to login using:

	ssh -Y sgehead		ssh -Y sgehead

	Which forwards your X session.		Which forwards your X session.

	If you want help using ConQuest, try the documentation:		If you want help using ConQuest, try the documentation:

	http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html		http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html


	Return to [[:Category:Software]]		Return to [[:Category:Software]]

Frodo at 23:59, 11 March 2014

2014-03-11T23:59:21Z

← Older revision		Revision as of 23:59, 11 March 2014
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	http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html		http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html


			Return to [[:Category:Software]]

	[[Category:Internal]]		[[Category:Internal]]

Frodo at 16:11, 11 March 2014

2014-03-11T16:11:04Z

← Older revision		Revision as of 16:11, 11 March 2014
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	[[Category:Tutorials]]		[[Category:Tutorials]]
	[[Category:Commercial]]		[[Category:Commercial]]
			[[Category:Third party software]]

Frodo at 16:12, 14 February 2014

2014-02-14T16:12:06Z

← Older revision		Revision as of 16:12, 14 February 2014
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	[[Category:Cheminformatics]]		[[Category:Cheminformatics]]
	[[Category:Databases]]		[[Category:Databases]]
	[[Category:~~Tutorial~~]]		[[Category:Tutorials]]
	[[Category:Commercial]]		[[Category:Commercial]]

Frodo at 15:10, 14 February 2014

2014-02-14T15:10:40Z

← Older revision		Revision as of 15:10, 14 February 2014
Line 30:		Line 30:
	[[Category:Databases]]		[[Category:Databases]]
	[[Category:Tutorial]]		[[Category:Tutorial]]
			[[Category:Commercial]]

Frodo at 02:57, 14 February 2014

2014-02-14T02:57:21Z

← Older revision		Revision as of 02:57, 14 February 2014
Line 24:		Line 24:

	http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html		http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html


			[[Category:Internal]]
			[[Category:Cheminformatics]]
			[[Category:Databases]]
			[[Category:Tutorial]]