[ccp4bb] CALL FOR PROPOSALS FOR ESRF BEAMTIME WITH ONLINE MICROSPEC

2009-01-14 Thread nurizzo
CALL FOR PROPOSALS FOR BEAMTIME WITH ONLINE MICROSPEC Proposal Deadline 31st January 2009 There will be beamtime available at the ESRF for MX data collection with a setup that allows online monitoring of UV/VIS spectral changes of the crystal during the X-ray diffraction experiment. Users who

[ccp4bb] polls on ccp4bb

2009-01-14 Thread Martyn Winn
This particular poll is fairly innocuous, but it does remind me to make a general comment on polls on ccp4bb. There seems to be an increasing trend of running polls on ccp4bb, some of them getting very specific with regard to program or instrument or manufacturer. While it is certainly useful to

Re: [ccp4bb] Refmac library trouble -

2009-01-14 Thread junfeng liu
Hi Jon, I do not think the lib you got from ligand dep is enough to be used in the refmac. Unfortunately I can not find or make the library from PRODRG2 server because the FE can not be handled by that server right now. So maybe you should make the library yourself : either using sketcher

[ccp4bb] unknown PyMOL script author

2009-01-14 Thread MARTYN SYMMONS
Dear CCP4ers Do you recognize your Python code in the script below? I got this from a script in the PyMOL wiki last year but now I can't locate it or identify the author. I have used this syntax extensively in some structural analysis that I am now writing up and I would like to credit the

[ccp4bb] Structural Biology at the Society for General Microbiology Meeting, 30th March- 2nd April 2009

2009-01-14 Thread Arwen Pearson
(Posted on behalf of Nic Stonehouse) The forthcoming Society for General Microbiology Meeting includes a symposium on ‘Structural Insights into Virus Biology’, with presentations from leading structural biologists. Also included is a work shop session entitled ‘Virus Structure’, where PhD

[ccp4bb] Ramachandran plot, in a text list

2009-01-14 Thread John Pak
Hi, sorry if this was posted earlier. How can I calculate a Ramachandran plot, but output the information to a text file list? i.e. something like Ala51, phi=X, psi=Y. I can't seem to find this information in the ccp4 SFCheck/Procheck log file.

[ccp4bb] Ab initio structure prediction

2009-01-14 Thread riya doreen
Dear All, I will be very grateful if someone can point me to a program for ab initio structure prediction of small peptide fragments (50-100 amino acids). Thanks Riya

Re: [ccp4bb] Ramachandran plot, in a text list

2009-01-14 Thread Pavel Afonine
Hi, you can do it PHENIX (http://www.phenix-online.org/): phenix.ramalize model.pdp and it will give you this list. Pavel. PS You need to have the latest version of PHENIX for this. On 1/14/2009 10:05 AM, John Pak wrote: Hi, sorry if this was posted earlier. How can I calculate a

Re: [ccp4bb] summary: crystals from skin

2009-01-14 Thread Jesse
Are the crystals growing as a result of the skin, or coincidentally located with the skin? For instance, if you are using the hanging drop method, and the crystals are growing with the skin because of their density, you could switch to sitting drop plates -- crystals grow on the bottom, skin

Re: [ccp4bb] Ramachandran plot, in a text list

2009-01-14 Thread Robert Immormino
Hi John, Another way to get at this data is to run your structure through MolProbity (http://molprobity.biochem.duke.edu/). After this on the mainpage there in the downloads section...if you go to *all downloads*... there is a raw_data section that contains the ramachandran stats

Re: [ccp4bb] Ab initio structure prediction

2009-01-14 Thread Jürgen Bosch
Hi Riya, you could use Modeller , Robetta http://robetta.bakerlab.org or check out the Expasy server what they offer in terms of threading programs http://www.expasy.ch/tools/#tertiary Jürgen On 14 Jan 2009, at 13:08, riya doreen wrote: Dear All, I will be very grateful if someone can

Re: [ccp4bb] Ramachandran plot, in a text list

2009-01-14 Thread Edward A. Berry
John Pak wrote: Hi, sorry if this was posted earlier. How can I calculate a Ramachandran plot, but output the information to a text file list? i.e. something like Ala51, phi=X, psi=Y. I can't seem to find this information in the ccp4 SFCheck/Procheck log file. And lets not forget

Re: [ccp4bb] offtopic__which crystals to harvest

2009-01-14 Thread V. Nagarajan
Actually, UV fluorescence imaging appears to be a pretty reliable means of discriminating protein crystals, provided your protein has Trp residue(s). V. Nagarajan JAN Scientific, Inc. http://www.janscientific.com -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk]

Re: [ccp4bb] offtopic__which crystals to harvest

2009-01-14 Thread Van Den Berg, Bert
True. It also appears that most people will be looking for less expensive ways to distinguish between protein and salt crystals Bert van den Berg University of Massachusetts Medical School Program in Molecular Medicine From: CCP4 bulletin board on behalf