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The CCP4 program GEOMCALC can do this for you:
http://www.ccp4.ac.uk/dist/html/geomcalc.html#tilt
here is an example script:
#!/bin/csh -f
geomcalc xyzin in.pdb \
xyzout out.pdb \
<< END-geomcalc
plane 1 H|103:CG H|103:CD1 H|103:CD2 H|103:CE3 H|103:NE1 H|103:CZ2
plane 2 X|1:C1 X|1:C2 X|1:C3 X|1:C4 X|1:C5 X|1:C6
fold 1 2
current 1
fromplane X|1:C1 X|1:C2 X|1:C3 X|1:C4 X|1:C5 X|1:C6
END-geomcalc
Erik
On Tue, 9 May 2006, Artem Lyubimov wrote:
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Hi everyone,
Kind of a non-CCP4 question, but here it is: I'm trying to measure an angle
between two planes defined by >3 atoms each. I know SHELXL does this, but
I'm working with a couple of structures that I have no reflection data for
(and thus can't run through SHELXL), so I was wondering if there is any other
software out there that people would recommend for this purpose.
Thanks!
Art
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Erik Debler, graduate student
The Scripps Research Institute
Laboratory of Ian A. Wilson
Dept. Molecular Biology, BCC206 phone: +1 (858) 784-2945
10550 North Torrey Pines Road fax: +1 (858) 784-2980
La Jolla, CA 92037 email: [EMAIL PROTECTED]
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