CCP4MG can also generate electrostatic surfaces,
which can then be rendered and exported for
publication. As a caveat, the last time I looked
I could not find anything in the documentation
that explained how they were calculated, so I
don't know how they compare to the APBS generated
ones.
Tim
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Hi Joel,
with Coot 0.8, revision 5348, I could generate and display the surface
for insulin. I would take a screenshot of it, unless Paul has a
different idea?
You said you could generate the ESP - do you mean you can see it like
in the screenshot, or do you not see anything at all?
Best,
Tim
On 12/09/2014 11:50 PM, Joel Tyndall wrote:
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
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- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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