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xplor to mtz

Brad Poland brad at helix0.chem.iastate.edu
Wed Apr 24 10:32:16 EST 1996


Todd Charles Wood (tcw3r at avery.med.Virginia.EDU) wrote:
: I am looking for a program that can read in a reflection file
: in X-PLOR format and output a mtz file.  Any suggestions?

: Todd Wood
: tcw3r at virginia.edu


Use f2mtz the CCP4 package with format statement:

FORMAT '(5X,F4.0,F4.0,F4.0,7X,F7.2,8X,F7.2)'
LABOUT H K L FP SIGFP
CTYPOUT H H H F Q

if you have just F's and SigF'.  It is strange, but the indices have to be
read in as floating point numbers.  I don't know why, but it won't work if you
try to read them in as integers.  I have mailed you a copy of my script. Good luck.

brad
--
                                                              __o      o
Brad Poland, ISU Ames, IA.                     ____/\o__   _ |/<_     <\
brad at helix0.chem.iastate.edu                              (_)| (_)   / >

Some people eat to train, I train to eat!


 



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