Re: [ccp4bb] !SPAM: [ccp4bb] secondary structure assignment to PDB file

2017-01-30 Thread Edward A. Berry
As I understood the problem, it is that automatic assignment comes out differently for different structures of the same protein or proteins so close that they should have the same secondary structure, due to differences in quality of the structures. The question then is not how to determine sec

Re: [ccp4bb] !SPAM: [ccp4bb] secondary structure assignment to PDB file

2017-01-30 Thread Tim Gruene
Dear J. Vitali, there are tools that have been mentioned by others, that assist with the assignment. The final decision depends on you as researcher. You should visually check the hydrogen bonding whether the boundaries are consistent with the automated assignment. People often seem to think t

Re: [ccp4bb] secondary structure assignment to PDB file

2017-01-30 Thread Daniel Rigden
*Sent:* 29 January 2017 10:41 *To:* CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK> *Subject:* [ccp4bb] secondary structure assignment to PDB file Hi Is there any tool that can assign secondary structure to the PDB file. The problem is if I used different modelling tools,

Re: [ccp4bb] secondary structure assignment to PDB file

2017-01-29 Thread Pavel Afonine
-- > *From:* CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of chemocev > marker [jirivit...@gmail.com] > *Sent:* 29 January 2017 10:41 > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* [ccp4bb] secondary structure assignment to PDB file > > Hi > Is there any t

Re: [ccp4bb] secondary structure assignment to PDB file

2017-01-29 Thread Antonio Ariza
anuary 2017 10:41 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] secondary structure assignment to PDB file Hi Is there any tool that can assign secondary structure to the PDB file. The problem is if I used different modelling tools, there are regions in the protein which does not remain consi

[ccp4bb] secondary structure assignment to PDB file

2017-01-29 Thread chemocev marker
Hi Is there any tool that can assign secondary structure to the PDB file. The problem is if I used different modelling tools, there are regions in the protein which does not remain consistent and looks different in different application. best J. Vitali