NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype |
12465 | 1szy | cing | 1-original | 22 | shell | protocol | structure calculation |
#!/bin/csh -f #$ -cwd -o refine.run.o -e refine.run.e -m bae -M dcs@proton.chem.yale.edu set i=21 while ($i <= 30) set ii=`nawk 'BEGIN { printf "%02d", '$i' }'` ln -s dgsa.$ii.pdb dgsa.pdb xplor -s < refine.inp > refine.$ii.out ip 'repdb -ix -om' refine.pdb mv refine.pdb refine.$ii.pdb rm -f dgsa.pdb refine.tra @ i++ end perl -ne 'print if /^Ener/ .. /^ X-PLOR/' refine.??.out > refine.summary perl -ne 'print if /0.2 noe/ .. /NOEPRI/' refine.??.out > refine.summary.noes perl -ne 'print if /5 cdih/ .. /RMS deviation/' refine.??.out > refine.summary.cdih
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