Search_Compare - Utilities

scs_xdrtor

Purpose

The scs_xdrtor utility is used to inter-convert the .scs_tor and .xdr_tor files. The
.scs_tor file is an ASCII file and is readily user-readable. The .xdr_tor file contains the same information, but in a compact, machine-readable format.

Syntax

scs_xdrtor [-s] input_file_name output_file_name [n]

If input_file_name is an ASCII file, the utility performs ASCII-to-XDR conversion and puts the results into output_file_name. If input_file_name is an XDR file, the utility performs XDR-to-ASCII conversion and puts the results into output_file_name.

The format of the output file is documented in the Common File Formats book.

A message is printed out to inform you of the type of conversion performed.

By default, the utility issues an error message and stops running if the output_file_name already exists. The -s option suppresses this feature.

If the [n] integer is used, the utility selects n conformers by equal-space sampling of conformer number, and writes the results to output_file_name, without altering the file format.

Errors and Warnings

The following situations cause the utility to notify you of the problem and then stop running:

The input file cannot be found.
The input file is not a torsion file (either XDR or ASCII).
Data in the input file are in the wrong format or are corrupted.
The output file already exists or cannot be created.
scs_xdrdmap

Purpose

The scs_xdrdmap utility is used to convert an XDR distance map file (.xdr_dmap) into an ASCII file (.asc_dmap) that is readily user-readable. The .xdr_dmap file contains the same information, but in a compact, machine-readable format.

Syntax

scs_xdrdmap input_file_name

The utility takes the input_file_name and generates an output file named
<filename>.asc_dmap.

Errors and Warnings

The following situations cause the utility to notify you of the problem and then stop running:

The input file cannot be found.
The input file is not an XDR distance map file.
Data in the input file are in the wrong format or are corrupted.

Last updated November 22, 2003.