[ccp4bb] Pairwise distance calculation

2012-08-05 Thread Zhou, Tongqing (NIH/VRC) [E]
Dear All, I am trying to obtain the pairwise Ca-distances between corresponding residues of two antibody light chains. CCP4 Superpose can output the distances in the log file, but the numbers seem to be wrong when examed by eye. Is there a way to calculate the pairwise distance between two

[ccp4bb] Calculation of volume/size of cavity

2012-05-31 Thread Zhou, Tongqing (NIH/VRC) [E]
Dear All, I am looking for a way to calculate the size of a protein cavity which is occupied by a loop from a ligand protein. The goal is to see what's the maximum length of peptide allowed in this cavity. Thanks, Tongqing Tongqing Zhou, Ph.D. Staff Scientist Structural Biology Section

Re: [ccp4bb] Arp/WARP for multi-chain complex

2012-04-19 Thread Zhou, Tongqing (NIH/VRC) [E]
. On 19 Apr 2012, at 04:26, Zhou, Tongqing (NIH/VRC) [E] tz...@mail.nih.gov wrote: Dear All, I am trying to use Arp/wArp to build an antibody-antigen complex with 1.65 A data, there are three chains (heavy, light chains of antibody and the antigen) in the complex, my question is how to put

[ccp4bb] Arp/WARP for multi-chain complex

2012-04-18 Thread Zhou, Tongqing (NIH/VRC) [E]
Dear All, I am trying to use Arp/wArp to build an antibody-antigen complex with 1.65 A data, there are three chains (heavy, light chains of antibody and the antigen) in the complex, my question is how to put the sequences in the *.pir file so that it still identifies different chains. It looks

Re: [ccp4bb] Protein-Protein Complex Screening

2011-11-17 Thread Zhou, Tongqing (NIH/VRC) [E]
I would recommend Qiagen's ProComplex and JCSG+, and Emerald's Precipitant Synergy. - Original Message - From: Ho Leung Ng [mailto:h...@hawaii.edu] Sent: Thursday, November 17, 2011 07:23 PM To: CCP4BB@JISCMAIL.AC.UK CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Protein-Protein Complex

Re: [ccp4bb] cryo protection

2011-10-26 Thread Zhou, Tongqing (NIH/VRC) [E]
You can also try to crosslink before transferring to cryo. From: Filip Van Petegem filip.vanpete...@gmail.com To: CCP4BB@JISCMAIL.AC.UK CCP4BB@JISCMAIL.AC.UK Sent: Wed Oct 26 13:19:16 2011 Subject: Re: [ccp4bb] cryo protection Hello Leonard, one thing to test is

[ccp4bb] PISA question

2011-08-23 Thread Zhou, Tongqing (NIH/VRC) [E]
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

Re: [ccp4bb] Computer encryption matters

2011-08-17 Thread Zhou, Tongqing (NIH/VRC) [E]
We have no problem with encryption on Windows 7 here at NIH - Original Message - From: Harry ha...@mrc-lmb.cam.ac.uk To: CCP4BB@JISCMAIL.AC.UK CCP4BB@JISCMAIL.AC.UK Sent: Wed Aug 17 18:23:21 2011 Subject: Re: [ccp4bb] Computer encryption matters Hi John My Mac laptop has been encrypted

[ccp4bb] Program to analyze water mediated interactions?

2011-06-14 Thread Zhou, Tongqing (NIH/VRC) [E]
Dear CCP4 community, I have few conserved water-mediated interactions in different antibody:antigen complexes and I want to get a list of those. It's hard to keep track by eye inspection. Is there a program that can perform such kind of job? PISA does a nice job on interfaces by ignores water.

Re: [ccp4bb] Dual boot--windows 7 and Linux

2010-06-23 Thread Zhou, Tongqing (NIH/VRC) [E]
. ** Zhou, Tongqing (NIH/VRC) [E] wrote: Dear All, I am trying to set up a dual boot system on a new Dell laptop factory installed with 64-bit Windows 7 professional. Model: Dell Latitude E6410 OS: Windows 7 Professional MEM: 8G

Re: [ccp4bb] Stuck refinement

2010-06-23 Thread Zhou, Tongqing (NIH/VRC) [E]
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. ** -Original Message- From: Zhou, Tongqing (NIH/VRC) [E] Sent

[ccp4bb] Dual boot--windows 7 and Linux

2010-06-17 Thread Zhou, Tongqing (NIH/VRC) [E]
Dear All, I am trying to set up a dual boot system on a new Dell laptop factory installed with 64-bit Windows 7 professional. Model: Dell Latitude E6410 OS: Windows 7 Professional MEM: 8G CPU: Corei7 HD: 500GB I first shrank the HD with Win7 to give ~250GB space to the new OS, I then

Re: [ccp4bb] Stuck refinement

2010-06-15 Thread Zhou, Tongqing (NIH/VRC) [E]
of the NIAID by one of its representatives. ** -Original Message- From: Eleanor Dodson [mailto:c...@ysbl.york.ac.uk] Sent: Tuesday, June 15, 2010 4:46 AM To: Zhou, Tongqing (NIH/VRC) [E] Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re

[ccp4bb] Stuck refinement

2010-06-14 Thread Zhou, Tongqing (NIH/VRC) [E]
Hi Everyone, I have some problem in refining a structure. The data goes to 2.4A (with some 30% completeness at 2.15A), the structure was solved by MR with Phaser, refinement was done with Phenix, but the r and r-free are now staying at 26% and 32%, even with all possible waters and missing

[ccp4bb] GPU computing

2010-06-07 Thread Zhou, Tongqing (NIH/VRC) [E]
Hi All, I am wondering anyone is looking into GPU computing on structural refinement? I see VMD supports GPU computing already, how about other programs such as CCP4 and Phenix Thanks, Tongqing Tongqing Zhou, Ph.D. Staff Scientist Structural Biology Section Vaccine Research Center,