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| NAME
DEF_FRAGMENT – Define a fragment of a solute. |
| SYNOPSIS
DEF_FRAGMENT begin end |
| DESCRIPTION
This command is used in conjunction with the command PLOT FRAGMENT in &INOUT, or in conjunction with the command DIST_FRAGMENT in this environment. The arguments indicate the ordinal numbers of the first begin and the last end atom of a solute fragment. This numbers may be deduced by inspection of the PDB file including the hydrogen atoms (see command ASCII for generating a PDB file with hydrogen atoms). The command DEF_FRAGMENT can appear more than one time in the environment. The atoms of different solute molecules defined with this command can overlap. |
| EXAMPLES
DEF_FRAGMENT 1 80 DEF_FRAGMENT 81 90 DEF_FRAGMENT 1001 1256 |
