From: Oliver Smart
Date: 19 March 2012 17:35
On Tue, 10 Jan 2012, Stephen Graham wrote:
Stephen,
We had anticipated your request and got permission from the CCDC to provide a public Web server that would include the use of MOGUL in its invocation of Grade. The Grade Web Server has been publicly launched today, so for ligand restraint definitions that are (partly) based on CSD small molecule structures try using:
http://grade.globalphasing.org
Regards,
Oliver
| Dr Oliver Smart |
| Global Phasing Ltd., Cambridge UK |
| http://www.globalphasing.com/people/osmart/ |
Date: 19 March 2012 17:35
On Tue, 10 Jan 2012, Stephen Graham wrote:
On 10 January 2012 09:50, John Liebeschuetz wrote:
"...available to anyone who has access to the Cambridge Structural
Database System"
How many academic labs will bother / can afford to buy a CCSD license
just to check the geometry of small molecule ligands, especially when
they need to do so them only once every blue moon?
The ability for the PDB to check a ligand against the CCSD upon
deposition would be great. The ability to generate the restraint
definition for free via the web before deposition is better: that's
why people use PRODRG!
Stephen
Stephen,
We had anticipated your request and got permission from the CCDC to provide a public Web server that would include the use of MOGUL in its invocation of Grade. The Grade Web Server has been publicly launched today, so for ligand restraint definitions that are (partly) based on CSD small molecule structures try using:
http://grade.globalphasing.org
Regards,
Oliver
| Dr Oliver Smart |
| Global Phasing Ltd., Cambridge UK |
| http://www.globalphasing.com/people/osmart/ |
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