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:[log in to unmask]] On Behalf Of Tim Gruene
Sent: Wednesday, 10 December 2014 3:07 a.m.
To: [log in to unmask]
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
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