evalDists
Print out fit of given distance restraints to the specified structures.
Usage: evalDists [options] <pdb file1> [<pdb file2> ...]
where option is one or more of:
-nef <filename> - NEF file containing distance restraints
-nefName <name> - name of NEF restraint block
-psf <file name> - PSF file - required for nonstandard residues
-tbl <filename> - file with XPLOR-formatted distance restraints
-aveType <ave type> - one of"average", "center", "sum", "shortest", or
"closest" ["sum"]
-classify - if specified, specify splitRestraints=True so
that restraints are classified as intra-
residue, short range or long range or
intermolecular
-model <integer> - PDB model number to read [1]
-fixImpropers - If specified, set fixMethylImpropers and
fixProtonImpropers to True in
protocol.initCoords, else they are set to
False
-swapMethylenes - If specified, evaluate every stereo-
specifically assigned methylene proton, and
check if the restraint is better satisfied
when the assignment is swapped. If any
assignments are swapped, a new restraint
table is written out using the pdb file name
and model of the corresponding coordinates.
-selection <atom selection> - restrict analysis to restraints involving the
specified atoms.
-sortDiff <val> - change the listing order from that of the
restraint table to sorting by the
abs(diff), largest to smallest.
-showAll - output info for violated and non-violated
restraints