[Chimera-users] Question related to chimera H-bond constraints

snoze pa snoze.pa at gmail.com
Wed Mar 24 10:21:15 PDT 2010


Dear Chimera Users,

 I have a question related to number of hydrogen bonds.

1.  When I am using the Relax H-bond constraints then chimera is
showing 76 H-bonds as shown below figure (h bonds are shown in cyan
color)

http://img260.imageshack.us/img260/6467/screenshotau.png

2. If I will select the option color H bonds not meeting precise
criteria differently, then still it shows 76 H bonds with some bonds
that do not meet the criteria in red color

http://img690.imageshack.us/img690/5607/screenshot1ks.png

In 2, Why the red H bonds are different from 1 though H bonds are
relaxed. If it is true then why chimera is showing these bonds in
Relax H-bond constraints in 1.

3. However, if I will not choose the option to relax H bonds
constraints then it is showing 50 H bonds as shown below

http://img153.imageshack.us/img153/3822/screenshot2kr.png

Thank you very much for your time and help.

S



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