IUBio GIL .. BIOSCI/Bionet News .. Biosequences .. Software .. FTP

cis proline

Shanyun Lu lusy at lily.lsc.pku.edu.cn
Sun Feb 7 20:44:56 EST 1999


Thanks for the answers from Tony, Xin Jia, Jinsong Liu for my wuestion on the cis proline.The answers are:
   1. set a "patch residue" (patch CIPP)
   2. set much low energy on the omega angle of Proline,so it is easier for the transition between cis and trans
   3  set a parameter patch
parameter
 dihedral (name CA and resname * ) ( name C and resname *)
          ( name N and resname PRO ) ( name CA and resname PRO )
          500 1 0.
 end
  4.using DISCOVER (MSI, INSIGHTII)

  I think the best way is 2 or 4 in which the cis and trans conformation is not add by personal will.
  I donot try all of them now.I use the first method and it does well.
Thanks again for the helpful advice.

shanyun lv
Department of Biochemistry and Molecular Biology
Peking University,Beijing
China
100871



More information about the X-plor mailing list

Send comments to us at archive@iubioarchive.bio.net