Re: [ccp4bb]: Geometry problems in Refmac

["Ben Sandler" <sandler@msg.ucsf.edu>]

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FWIW, I'm not running the most up-to-date version.  I'll 
give it a shot.

Thanks!

-Ben

On Tue, 22 Apr 2003 13:51:47 -0700
  hheaslet <hheaslet@scripps.edu> wrote:
>Hi Ben!
>
>The newest version of REFMAC included with ccp4-4.2.2 has 
>improved this.  If 
>you're not running the most current version, I would 
>recommend upgrading and 
>trying again.
>
>Good luck!
>
>Holly
>
>>===== Original Message From "Ben Sandler" 
>><sandler@msg.ucsf.edu> =====
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>>visit the  ***
>>***          CCP4 home page http://www.ccp4.ac.uk 
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>>
>>I'm trying to refine a liganded protein structure in
>>Refmac, but the geometry of the ligand keeps going to 
>>pot.
>> (In fact, the distortions of the ligand geometry are so
>>extreme as to be visible by eye.)  I tried to use the
>>ligand sketcher to make a new monomer library entry for
>>the ligand, but if anything the distortions have gotten
>>worse.  Does anyone have any idea what I might be doing
>>wrong?
>>
>>-Ben Sandler
>
>Holly Heaslet, Ph.D.
>Department of Molecular Biology
>Scripps Research Institute
>10550 N. Torrey Pines Rd.
>La Jolla, CA 92037
>(858) 784-8751
>
>