The best why that I have put inhibitors in is by using the sketcher program
in CCP4. Its a little unwieldy at first but if you get the hang of it, it
provides pdb's and library files that can be directly inputed into refmac
and Coot. The Coot ligand find function does a pretty good job of initial
On Sep 30, 2008, at 9:56, Anshul Awasthi wrote:
Hi all the crystallographers,
I am trying to solve a structure of a protein with some inhibitor. I
want to
know how I can put in my inhibitor in the density map of the data i
got. I
can see some density in the active site where the inhibitor
@JISCMAIL.AC.UK
Subject: [ccp4bb] Putting ligand in the protein structure
Hi all the crystallographers,
I am trying to solve a structure of a protein with some inhibitor. I want to
know how I can put in my inhibitor in the density map of the data i got. I
can see some density in the active site where the
:[EMAIL PROTECTED] On Behalf Of Anshul
Awasthi
Sent: Tuesday, September 30, 2008 10:57 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Putting ligand in the protein structure
Hi all the crystallographers,
I am trying to solve a structure of a protein with some inhibitor. I want to
know how I can put
Hi all the crystallographers,
I am trying to solve a structure of a protein with some inhibitor. I want to
know how I can put in my inhibitor in the density map of the data i got. I
can see some density in the active site where the inhibitor should be. I
generated the topoly file of the inhibitor
