The only command in the program Solvent is PUNCH. With it you can create an envelope marking the solvent region or a solvent flattened map. The examples given below assume that the TNT control file contains the cell constants, and the space group's symmetry operators. For clarity the resolution limits and SET statements are shown explicitly. Example of Calculating a Solvent Envelope
$tntbin/solvent << $eof INCLUDE your.tnt RESOLUTION 3.0 FILE DATAFILE density.map FORMAT MAP SET SOLVENT 60.0 PUNCH envelope.map MAP ENVELOPE DATAFILE GRID 144 144 128 $eof if ($status >< 0) then exit 1
Example of Calculating a Flattened Map
$tntbin/solvent << $eof INCLUDE your.tnt RESOLUTION 3.0 FILE MAP init.map FORMAT MAP SET SOLVENT 60 LEVEL 0.0 PUNCH flat.map MAP FLATTEN MAP $eof if ($status >< 0) then exit 1
Example of Calculating a Flattened Map using Another Mask
$tntbin/solvent << $eof INCLUDE your.tnt RESOLUTION 3.0 FILE MAP init.map FORMAT MAP FILE ENVELOPE envelope.map FORMAT MAP SET SOLVENT 60 LEVEL 0.0 PUNCH flat.map MAP FLATTEN MAP $eof if ($status >< 0) then exit 1