Chapter 42. Programme names

Several different file formats are used by the Programmes. Some, such as PDB format, are required because they are internationally recognised. Others, such as the binary GRIDKONT output format, are used because they require minimal space in file-store and computer memory.

We therefore supply several utility Programmes which can be used in order to alter one format into another. Two sorts of name are used for these utility Programmes:

1. Programmes which alter the format of one single Grid map have names like K2A. This Programme changes a binary GRIDKONT file into eye-readable ASCII characters, and the Programme name K2A means: change "KONT to ASCII" Similarly A2K will change the ASCII file back to the original binary GRIDKONT format.

2. Programmes have a different style of name if they are used in order to split up the big output file which is generated by Grid when several different Probes have been used to study a set of Target molecules. Thus GCNT is the name of a Programme which splits up the big file into a set of .CNT files which can be used as input for TRIPOS' SYBYL or CoMFA.

Here is a list (see also Appendix J) of the names for the format-changing Programmes: LIST OF FORMAT-CHANGING PROGRAMMES: