generating molecular structure file for a glycoprotein

Lionel Mourey mourey at ECSTASY.CEMES.FR
Fri Sep 27 10:08:05 EST 1996


Dear X-PLOR users,

I'm refining with X-PLOR the crystallographic structure of a 
glycoprotein. At the current stage, I have built some saccharide units in the
map and would like to refine them together with the protein. At the generate
step, using toph3.cho and param3.cho in conjonction with the Engh and
Huber's force constants, the program dies because there are no angle
parameters for atom types C CC HA and O CC HA. These angles are defined in
param1.cho, and using both param1.cho and param3.cho eliminates the problem,
but there are some duplicated values...
I would like to know if this is the proper way to generate the molecular
structure file in my case or if I need to download more appropriate and/or
updated parameter files.

Thanks for your help,

Lionel

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Lionel MOUREY		
Groupe de Cristallographie Biologique de l'IPBS
 
CEMES-LOE/CNRS			Tel (33) 62 25 79 63 (direct line) 
29 rue Jeanne Marvig 		    (33) 62 25 78 00 (switchboard) 
BP 4347				Fax (33) 62 25 79 60  
31055 TOULOUSE CEDEX		e-mail   mourey at ecstasy.cemes.fr 
France
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