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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:[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
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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