I am asking this question on behalf of a friend: -Thanks!
Hi All - I am working at small biotech. We have
minimal budget for software, only CCP4 and Coot. We have a ligand that
binds covalently to cysteine. I define the parameter file using Prodrg in
CCP4 to get drug.cif file and then make a
Hi Ronnie -
Refmac has done the job for you (or for your friend). The Refmac log
file says that Refmac has created a file called .cif (the exact name
varies). You should open up that file and inspect it; it will be
Refmac's best guess about the geometry of that link. I usually specify
If there is a covalent link between CYS and UNK then it is better to create
that using jligand from ccp4.
There are nice tutorials designed by Andrey Lebedev. Tutorials are on this site:
http://www.ysbl.york.ac.uk/mxstat/JLigand/
Regards
Garib
On 5 Feb 2014, at 15:59, Ronnie
-2014 17:50
Aan: CCP4BB@JISCMAIL.AC.UK
Onderwerp: Re: [ccp4bb] no link_id
Hi Ronnie -
Refmac has done the job for you (or for your friend). The Refmac log
file says that Refmac has created a file called .cif (the exact name
varies). You should open up that file and inspect
@JISCMAIL.AC.UK
Onderwerp: Re: [ccp4bb] no link_id
Hi Ronnie -
Refmac has done the job for you (or for your friend). The Refmac log
file says that Refmac has created a file called .cif (the exact
name varies). You should open up that file and inspect it; it will be
Refmac's best guess about
