next up previous contents index
Next: Crystallographic Data Statements Up: The TNT Control File Previous: The TNT Control File

General Data Statements

CELL <a> <b> <c> <Alpha> <Beta> <Gamma>

This statement gives the cell dimensions in Ångstrom and degrees.

OPTION {SET | CLEAR} N(<Option name>)

This statement either sets or clears the options named. Different programs have different options which can be turned on or off by this mechanism. By default all options are cleared when the program starts. The most common option is ``VERBOSE".

WEIGHT N(<Restraint class> <Value>)

WEIGHT statements are used to specify a weight for each restraint type.



Dale Edwin Tronrud
Wed Jul 5 13:21:03 PDT 2000