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

2009-01-15 Thread Eleanor Dodson
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. I thought PROCHECK listed

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

2009-01-15 Thread Martyn Winn
However, procheck ramachandran is deprecated these days as it is based on older data than say molprobity. Obviously that won't matter just for a list of phi/psi angles, but might affect selections e.g. what it thinks are in a helix (cf Eleanor's message) m On Wed, 2009-01-14 at 14:39 -0500,

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

2009-01-15 Thread MATSUURA Takanori
Hi, How about STAN server at Uppsala? http://xray.bmc.uu.se/cgi-bin/gerard/rama_server.pl I suppose you can find what you are looking for at MOLEMAN2 main-chain analysis in the output webpage. Takanori From: John Pak john@utoronto.ca Subject: [ccp4bb] Ramachandran plot, in a text list

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

2009-01-15 Thread John Pak
Thanks for the replies everyone. I ended up using CNS_SOLVE 1.1 to generate the Ramachandran list. I don't seem to have access to the .rin file you mentioned. The only output I get from Procheck are the log file and the various postscript files. No big deal, perhaps it's because I'm

[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.

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] 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] 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