[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

RE: [ccp4bb]: REFMAC alternate conformations



***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

Hi Matt

No, you use the exact pdb standard definition of alternate conformations, which is A or B or C in the column just before the residue name.  Like down here:

ATOM   3669  N   GLN A 246       5.001   7.023 -21.098  1.00  9.80       
ATOM   3671  CA  GLN A 246       3.854   6.505 -21.795  1.00 10.05       
ATOM   3673  CB  GLN A 246       4.126   5.131 -22.417  1.00 10.07       
ATOM   3676  CG BGLN A 246       3.044   4.655 -23.340  0.50 10.97       
ATOM   3677  CG AGLN A 246       2.972   4.734 -23.327  0.50 12.00       
ATOM   3682  CD BGLN A 246       2.950   5.431 -24.656  0.50 11.31       
ATOM   3683  CD AGLN A 246       3.196   3.468 -24.138  0.50 14.88       
ATOM   3684  OE1BGLN A 246       3.932   5.981 -25.157  0.50 11.54       
ATOM   3685  OE1AGLN A 246       3.656   3.530 -25.274  0.50 15.77       
ATOM   3686  NE2BGLN A 246       1.771   5.436 -25.235  0.50 12.12       
ATOM   3687  NE2AGLN A 246       2.824   2.323 -23.572  0.50 13.34       

Note the enormous convenience of this astounding conformance to standards, especially used together with another conforming building program building program such as XtalView.  

phx.




-----Original Message-----
From: mwilkers [mailto:mwilkers@utk.edu]
Sent: Friday, November 08, 2002 12:30 PM
To: ccp4
Subject: [ccp4bb]: REFMAC alternate conformations


***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

Does anyone know how to input possible alternate conformations of an amino 
acid into REFMAC.  Will I need two sets of coordinates?

Matt W.