Dear All
I may not have understood but if I run PDBe PISA
and go Interface>Details
then I get a table of the form eg for H-bonds
Hydrogen bonds
1 A:GLN 213[ NE2] 3.52 A:SER 3[ O ]
2 A:ASN 112[ ND2] 2.77 A:SER 3[ O ]
3 A:GLN 213[ NE2] 2.99 A:SER 4[ O ]
4 A:LYS 154[ NZ ] 2.74 A:ILE 5[ O ]
5 A:ARG 214[ NH2] 2.75 A:GLU 16[ OE2]
6 A:TYR 168[ N ] 2.86 A:LYS 31[ O ]
7 A:TYR 168[ OH ] 3.00 A:ASN 34[ OD1]
8 A:LYS 175[ NZ ] 2.95 A:ASP 36[ OD2]
9 A:ARG 129[ NH1] 3.22 A:ASP 127[ O ]
10 A:ARG 129[ NH2] 2.90 A:ASP 127[ O ]
11 A:HIS 363[ ND1] 3.47 A:GLN 132[ O ]
12 A:HIS 363[ ND1] 3.41 A:GLN 132[ OE1]
13 A:TYR 350[ OH ] 2.71 A:LEU 179[ O ]
which seems to include atom details (not Hs however).
In the new pages there is no longer a pulldown for atomic detail but this now
is the default.
Hope that helps
Martyn
--- On Tue, 23/8/11, eugene.krissi...@stfc.ac.uk <eugene.krissi...@stfc.ac.uk>
wrote:
> From: eugene.krissi...@stfc.ac.uk <eugene.krissi...@stfc.ac.uk>
> Subject: Re: [ccp4bb] PISA question
> To: CCP4BB@JISCMAIL.AC.UK
> Date: Tuesday, 23 August, 2011, 17:50
> Dear Tongqing
>
> No there is no such option in CCP4's PISA, but I put this
> on the list for further developments. Regrettably PDBe
> changed the interface after I moved out and I cannot help
> you with that. However, you may ask them to put that option
> back.
>
> Sorry,
>
> Eugene.
>
>
> On 23 Aug 2011, at 17:16, Zhou, Tongqing (NIH/VRC) [E]
> wrote:
>
> Dear CCP4bb,
>
> We are trying to get some detailed interface information
> from an antibody:antigen complex, PDBePISA used to have an
> option to select atomic level details, now the new web
> interface only gives residue level information. Is there a
> way to run PISA (in the CCP4 package) with a different
> configuration to get the detailed information?
>
> Thanks,
>
>
> Tongqing
>
> Tongqing Zhou, Ph.D.
> Staff Scientist
> Structural Biology Section
> Vaccine Research Center, NIAID/NIH
> Building 40, Room 4607B
> 40 Convent Drive, MSC3027
> Bethesda, MD 20892
> (301) 594-8710 (Tel)
> (301) 793-0794 (Cell)
> (301) 480-2658 (Fax)
> ******************************************************************************
> The information in this e-mail and any of its attachments
> is confidential and may contain sensitive information. It
> should not be used by anyone who is not the original
> intended recipient. If you have received this e-mail in
> error please inform the sender and delete it from your
> mailbox or any other storage devices. National Institute of
> Allergy and Infectious Diseases shall not accept liability
> for any statements made that are sender's own and not
> expressly made on behalf of the NIAID by one of its
> representatives.
> ******************************************************************
>
