] On Behalf Of Garib Murshudov
[ga...@ysbl.york.ac.uk]
Sent: Thursday, June 24, 2010 4:57 PM
To: Young - Tae Lee
Cc: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] LINK option during refinement
In your run with the option "residues are close only" refmac also
should generate a pdb file with
In your run with the option "residues are close only" refmac also
should generate a pdb file with link records added. In very simple
form you can edit this pdb file and remove all unnecessary links and
leave link you want. Then you can rerun with normal options and
generated library.
Better
Dear Dr. Murshudov,
I am working on the heme protein with a surface Cys residue
covalenlty linked to another molecule through its SG atom.
Here is a part of log file.
--
INFO: link is found (not be used) dist= 2.188 ideal_dist=
2.300
ch:AA res: 400 C
