interface

interface

---

interface reads coordinate files and writes files of inter-chain residue-residue contact data.

Here is a sample session with interface:

% interface

Mandatory qualifiers:

[-in] (infile)

Name of protein coordinate file for input (EMBL format).

-vdwf (string)

Name of data file with Van der Waals radii.

-thresh (float)

Threshold contact distance.

[-out] (outfile)

Name of contact file for output.

-conerrf (outfile)

Name of log file for the build.

Optional qualifiers:

-ignore (float)

If any two atoms from two different residues are at least this distance apart, no futher inter-atomic contacts are checked for for that residue pair. This speeds up the calculation considerably.