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[ccp4bb] side chain angle differences between monomers |
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- Protein crystallographyMain steps:- Protein purification- Crystallisation Special:- Programs for crystallography- X-ray detectors Basic tutorials:- Chemistry- Protein - Peptide - Amino Acids Xtal community:- CCP4BB |
CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999Subject: side chain angle differences between monomers From: iulek {- at -} INTERPONTA {- dot -} COM {- dot -} BR iulek {- at -} INTERPONTA {- dot -} COM {- dot -} BR Date: 2009-05-04 Hi all, I am aware of programs to plot (or analyse) the difference between the main chain angles of two monomers. I wondered there might be such facility for side chain angles. I consider this might also be useful to analyse, e.g., changes in conformation for different crystals or different ligands in a site, or even to improve selection of residues for NCS constraints. If there is not such program, I am inclined to prepare a script to do so; I could be helped by programs that could, at least, calculate and tabulate the angles. I am aware of only procheck to do this (partially?), any other? In summary: a) Differences between main chain angles, I know of Whatcheck and coot (with the Kleywegt plot tool); b) Differences between side chain angles, if not a program for differences, at least one to tabulate the chi angles (procheck makes this partially ... ?). Jorge CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999 |
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