Thursday 26 April 2012

unusual bond lengths in PRODRG cif file


From: Oliver Smart
Date: 19 March 2012 17:47


On Mon, 9 Jan 2012, Soisson, Stephen M wrote:

I will second Ian's recommendation for GRADE from the Global Phasing group.  GRADE overcomes nearly all of the shortcomings we have encountered with other approaches for ligand dictionary generation.


Steve,

Thanks to you and to Ian Tickle for the positive comments about grade. We have just launched the Grade Web Server so it should be now be much easier for academic and occasional users to generate ligand restraints with it.

http://grade.globalphasing.org

Regards,

Oliver


| Dr Oliver Smart                             |
| Global Phasing Ltd., Cambridge UK           |
| http://www.globalphasing.com/people/osmart/ |

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