Hi Charles,
I would use any scripting language you are familiar with - python, bash,
csh. Here is a bash script adapted from
https://stackoverflow.com/questions/10523415/bash-script-to-execute-command-...
for file in *.pdb
do
echo $file
phenix.molprobity "$file" > "$file"_results.txt
done
On mac - make a file mpscript put it in a directory with your .pdb, then run
chmod a+x mpscript
./mpscript
Hope it helps.
Best regards,
Oleg Sobolev.
On Mon, Jun 25, 2018 at 1:39 PM, CPMAS Chen
Hi, All,
I have about 100 structures needs be validated and optimized. what will be a fast way to do so? Can I somehow put phenix.molprobity in a circle?
Thanks!
--
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Charles Chen
Research Instructor
University of Pittsburgh School of Medicine
Department of Anesthesiology
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