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1) binaries are compiled into /bin subdirectory of build directory
[unres.git]
/
doc
/
XDRFPDB.TXT
diff --git
a/doc/XDRFPDB.TXT
b/doc/XDRFPDB.TXT
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--- a/
doc/XDRFPDB.TXT
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doc/XDRFPDB.TXT
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pdbfile (cxfile with extension changed from cx to pdb) - the output PDB file
4.2 XDRF2PDB-M
Command line syntax:
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)
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
The xdrf2pdb program to convert cx files to pdb files