Friday, June 28, 2013

Trajectory file conversion using wordom


wordom -conv -imol mymolecule.pdb -omol mymolecule.crd

 wordom -conv -imol mymolecule.pdb -sele "/A/@(20-100)/*" -omol mymolecule.crd

 wordom -conv -itrj mytrj.dcd -imol mymolecule.pdb -otrj mytrj.xtc

 wordom -conv -itrj mytrj.xtc -otrj mytrj.dcd
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