This is described in *Acta Cryst.* (2007). D*63*, 50-57 (J. Gruber, A. Zawaira, R. Saunders, C. P. Barrett and M. E. M. Noble).
On 10 December 2014 at 13:02, Tim Green <[email protected]> wrote: > 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 > > > -----BEGIN PGP SIGNED MESSAGE----- >> Hash: SHA1 >> >> 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 >>> >>> >> - -- >> - -- >> Dr Tim Gruene >> Institut fuer anorganische Chemie >> Tammannstr. 4 >> D-37077 Goettingen >> >> GPG Key ID = A46BEE1A >> >> -----BEGIN PGP SIGNATURE----- >> Version: GnuPG v1.4.12 (GNU/Linux) >> >> iD8DBQFUiC8NUxlJ7aRr7hoRAtY7AKCUIXsmhaN864yMzEK+vtGIjfXN0ACfQY8x >> cE2Xo9VfQLF6DHc7ko8V1ls= >> =Jw4z >> -----END PGP SIGNATURE----- >> >> >> Attachment converted: Asada_clone:insulin_esp.jpg (JPEG/«IC») (0006CF45) >> >
