Dear xplor/cns users,
I'm calculating a peptide structure having a cis-
proline with xplor3.851. Using the patch CIPP and
add ic -C +CA *+N +CD 0.0 0.0 180.0 0.0 0.0 !planar +N
add ic -C +N +CA +C 0.0 0.0 180.0 0.0 0.0
add ic -N -CA -C +N 0.0 0.0 180.0 0.0 0.0
add ic -C -CA +N +CA 0.0 0.0 1.0 0.0 0.0 !for cis
add ic +N -CA *-C -O 0.0 0.0 180.0 0.0 0.0 !planar -C
I did get the cis-proline peptide bond, however,
totally lost the planarities for -C and +N, so the
peptide bond looks twisty.
What do I miss or wrong?
Thank you very much for your helps!!!
Xin Jia, Ph.D.
Medical School, Beijing University
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