[ccp4bb] program to create cartoon image from a PDB file which have only C-alpha coordinates

2007-07-11 Thread Jhon Thomas
Hi all I am interested to make a cartoon image file from a old PDB. This PDB contains the coordinates of the only C-alpha atoms. Is there is any program to create cartoon image from this PDB? please, can any one suggest me? Thanks in advance With Best Regards Jhon Thomas

Re: [ccp4bb] Help with reducing crystal mosaicity

2007-07-11 Thread mesters
Matthew, I have not had any problem with our Cryojet XL (90 - 300 Kelvin), it is very stable at sub-zero temperatures, I checked it over a longer period using a highly sensitive electronic device. Also, you can buy the Cryojet HT that can be operated from 90 – 490 Kelvin! The heaters will be

Re: [ccp4bb] Help with reducing crystal mosaicity

2007-07-11 Thread Marius Schmidt
We used to use FTS-cooler for stable temperatures in Laue-experiments on protein crystals in capillaries. Check out BioCARS at the APS for this device. http://cars9.uchicago.edu/biocars/pages/timeresolved.html It has a big opening for constant air flow and temperature along the capillary and it

Re: [ccp4bb] Help with reducing crystal mosaicity

2007-07-11 Thread Moody, Dr P.C.E.
a couple of points from long BC about approx. 0 C cooling...for what its worth! i) don't forget that high concentrations of salts can have a significant effect on the freezing point ( remember freezing point depression?). We used to collect data at -15C from crystals grown in 2.4M Ammonium

[ccp4bb] BEAMTIME at BM14 at the ESRF -proposal deadline

2007-07-11 Thread Martin A. Walsh
Dear all, before heading for holidays make sure to apply for your September/October beamtime at BM14. Deadline for submission of online proposals is next Wednesday the 18th Link: http://www.esrf.fr/exp_facilities/BM14/applyforbeamtime/eproposal.html See below for full details Don't hesitate to

Re: [ccp4bb] Help with reducing crystal mosaicity

2007-07-11 Thread Patrick Shaw Stewart
Just a thought, Mary - going back to your original question about MPD. I extracted the crystallization conditions from REMARK 280 of 3939 PDB entries a couple of years ago. The average concentration of the MPD used was high - 38.6%, while PEGs tended to be used at lower concs, e.g. PEG400

Re: [ccp4bb] Help with reducing crystal mosaicity

2007-07-11 Thread Benini, Stefano
Dear Mary, the problem encountered with cryoprotectans is the change in the solution surrounding your crystal as they may not be present in your crystallisation conditions or you need to increase their concentration to make them act as cryoprotectant. So I don't thik is the cryoprotectant

[ccp4bb] Metal-ligand(s) positioning following refinement...

2007-07-11 Thread James Pauff
Good day all, I have a metal center in my enzyme active site, in a roughly square pyramidal coordination. I know from EXAFS and other work how this coordination sphere should look, but following REFMAC the cofactor here does not end up realistically coordinated/oriented. Although it is in the

Re: [ccp4bb] Metal-ligand(s) positioning following refinement...

2007-07-11 Thread Edward Snell
Hi James, I've seen something similar with another metal site. It may be that the X-rays have photoreduced the metal and you may have a different coordination from that seen from the EXAFS data (recorded at much lower dose). A good example is Yano et al. PNAS 102, 12047-12052, X-ray damage to the

Re: [ccp4bb] Pymol, labels, maps

2007-07-11 Thread Roger Rowlett
Instructions for reading CCP4-format maps into pymol can be found in the pymol wiki. Point your browser to http://www.pymolwiki.org/index.php/Display_CCP4_Maps. -- Roger S. Rowlett Professor Colgate University

Re: [ccp4bb] Pymol, labels, maps

2007-07-11 Thread Emmanuel Prata
Hi, Sam, Have you tried to put the map on 1sigma at the control panel and then the mesh to 1 sigma after loading the map in Pymol? It is not enough load the map. -- Emmanuel Prata de Souza

[ccp4bb] imgCIF workshops, 14 and 17 Aug 2007

2007-07-11 Thread Herbert J. Bernstein
The Management of Synchrotron Image Data: Changes to the imgCIF dictionary and software, interaction with NeXus Sponsored by DOE under grant ER64212-1027708-0011962, NSF under grant DBI-0610407 and NIH under grant 1R13RR023192-01A1 You are cordially invited to a CBF/imgCIF workshop in two lunch

[ccp4bb] modelling radiation damage of Asp/Glu (occ vs. B factor)

2007-07-11 Thread John Pak
Hi all, I was hoping to receive some guidance on the following subject. I'm refining a structure using REFMAC that shows all the symptoms of radiation damage. Namely partially broken disulphide bonds and decarboxylated Asp/Glu residues. I have an idea of how to handle the partially

[ccp4bb] Pymol error

2007-07-11 Thread Mike Xishan
Hi everyone Whenever, I try to run pymol I get following errors Traceback (most recent call last): File string, line 1, in ? ImportError: No module named pymol TypeError: expected string or Unicode object, found PyMOL-Error: can't find 'pymol.exec_str()' Can any body suggest how to fix this

Re: [ccp4bb] Help with reducing crystal mosaicity

2007-07-11 Thread Raji Edayathumangalam
You can also try to use the micromount loops (look like ink-pen nibs) sold by Mitegen. They are a much easier alternative to capillary mounts; they are easy to handle and work well for room temperature data collection. Good luck. Raji -Included Message-- At the risk of

[ccp4bb] Off topic summary: where to buy just spin column without kits

2007-07-11 Thread Eric Dollins
Thank you to all who replied to my original post. Here is the result. Original query: Sorry for the off-topic question.Does anyone know a way to just buy the spin columns from the Qiagen (or similar) PCR clean up / Gel extraction / miniprep kits, without buying the entire kit? Our lab is

Re: [ccp4bb] Off topic summary: where to buy just spin column without kits

2007-07-11 Thread James Stroud
Perhaps someone would barter with you for your reagents? On Wednesday 11 July 2007 18:28, Eric Dollins wrote: Thank you to all who replied to my original post. Here is the result. Original query: Sorry for the off-topic question.Does anyone know a way to just buy the spin columns from