Chimera Commands Index

crystalcontacts model_number distance [ copies true|false ] [ replace true|false ]

The crystalcontacts command checks for clashes between copies of a structure when they are positioned according to symmetry information in the header of the PDB file. It is the command-line implementation of Crystal Contacts.

The structure must have been opened from a PDB file containing symmetry information; otherwise, there is no reason to use this command. The model_number (preceded by #) specifies the structure, and distance specifies what will be considered a close contact.

The results are shown schematically. Each copy of the original structure is shown as a ball, and close contacts between copies are shown as cylinders connecting the balls:

See Crystal Contacts for details.

The copies keyword (default false) indicates whether to load the full atomic coordinates of any contacting copies. The keyword replace (default true) indicates whether to replace any pre-existing schematic representation from crystalcontacts with the new one rather than generating an additional model. Synonyms for true: True, 1. Synonyms for false: False, 0.

See also: sym, distance, findclash, Unit Cell