contacts reads coordinate files and writes files
of intra-chain residue-residue contact data.
Here is a sample session with contacts:
% contacts
Reads coordinate files and writes contact files
Location of coordinate files for input (embl-like format) [./]:
Extension of coordinate files (embl-like format) [.pxyz]:
Location of contact files for output [./]:
Extension of contact files [.con]:
Threshold contact distance [1.0]:
Name of data file with van der Waals radii [Evdw.dat]:
Name of log file for the build [contacts.log]:
Mandatory qualifiers:
- [-cpdb] (string)
-
Location of coordinate files (EMBL format input).
- [-cpdbextn] (string)
-
Extension of coordinate files.
- -vdwf (string)
-
Name of data file with Van der Waals radii.
- -thresh (float)
-
Threshold contact distance.
- [-con] (string)
-
Location of contact files for output.
- [-conextn] (string)
-
Extension of contact files.
- -conerrf (outfile)
-
Name of log file for the build.
Advanced qualifiers:
- -ignore (float)
-
If any two atoms from two different residues are at least this
distance apart, no further interatomic contacts are checked for that
residue pair. This option speeds the calculation up considerably.
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