X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=doc%2FXDRFPDB.TXT;h=f2667200690f4ee57f7842d572d0f5396206d5f8;hb=ab83ff9e0b8281a0c667d3f9b64b006e5bd4fc9c;hp=988665fdebb33de9560876600950826eb9f45187;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/doc/XDRFPDB.TXT b/doc/XDRFPDB.TXT index 988665f..f266720 100644 --- a/doc/XDRFPDB.TXT +++ b/doc/XDRFPDB.TXT @@ -102,15 +102,20 @@ pdbfile (cxfile with extension changed from cx to pdb) - the output PDB file 4.2 XDRF2PDB-M Command line syntax: -xdrf2pdb-m one/three seqfile cxfile [ntraj] [itraj] +xdrf2pdb-m xdrf2pdb-m one/three seqfile cxfile ntraj itraj [pdbfile] [freq] cxfile - the name of the compressed trajectory file from an UNRES/MREMD run carried out with TRAJ1FILE (conformations from all trajectories output to a single file) -ntraj (1) - number of trajectories in the multi-trajectory run +ntraj - number of trajectories in the multi-trajectory run -itraj (1) - the number of trajectory to be extracted +itraj - the number of trajectory to be extracted + +pdbfile - (cxfile-without-cx-itraj.pdb) the name of file to write the Cartesian + coordinates of trajectory itraj to + +freq (1) - output frequency The xdrf2pdb program to convert cx files to pdb files