next up previous contents index
Next: WRITE_RESTRAINTS write Up: Calculation of spatial restraints Previous: SPLINE_RESTRAINTS approximate   Contents   Index

READ_RESTRAINTS -- read spatial restraints

FILE = $\langle{\tt string:1}\rangle$ 'default' input restraints file
DIRECTORY = $\langle{\tt string:1}\rangle$ '' directory list (e.g., 'dir1:dir2:dir3:./:/')
FILE_FORMAT = TYPEVALUES DEFAULT DESCRIPTION
ADD_RESTRAINTS = $\langle{\tt logical:1}\rangle$ off whether to add new restraints to existing restraints

Description:
This command reads restraints, excluded atom pairs, and pseudo atom definitions from a file. An excluded atom pair specifies two atoms that are not to be tested during generation of the dynamic non-bonded pair list. There is one restraint entry per line. The two possible formats of the file, MODELLER and USER, are described in Section 2.5. The routine determines automatically which format is used, based on the presence of the MODELLER or USER keywords in the first line. The new restraints are added to those that are already in memory if ADD_RESTRAINTS = on, otherwise they initiate the restraints list. All the new restraints are automatically selected.

Example: See MAKE_RESTRAINTS command.


next up previous contents index
Next: WRITE_RESTRAINTS write Up: Calculation of spatial restraints Previous: SPLINE_RESTRAINTS approximate   Contents   Index
Ben Webb 2004-04-20