Hi Tim, You have sparked my interest in Coot ESP. Do you know of a link to explain how to display/export it? I can generate it but nothing happens (other than the protein disappearing
Cheers Joel -----Original Message----- From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of Tim Gruene Sent: Wednesday, 10 December 2014 3:07 a.m. To: [email protected] Subject: Re: [ccp4bb] pdb2pqr generation Dear abhishek, one work-around is to split the PDB-file into four different PDB-files, one per chain, and concatenate the results back together. Alternatively you can try Coot to calculate the ESP. Bst, Tim On 12/09/2014 02:23 PM, abhishek jamwal wrote: > Dear All, > > I wish to generate electrostatics surface cartoon for a protein, > which is a tetramer. > > I am using pdb to pqr server (http://nbcr-222.ucsd.edu/pdb2pqr_1.8/) > to generate .pqr files as part of this process. > > I find that server is able to genetrate .pqr file contents, only when > input pdb file contains a single chain (monomer), it is failing to do > the same when I give it tetramer pdb co-ordinates, why is that ? and > how can I generate a .pqr file for teramer...what other options do I have ? > > many thanks in adavnce > > abhishek > -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
