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| NAME
omit_angles – Provide a list of angle bendings to omit |
| SYNOPSIS
omit_angles ... lab1 lab2 lab3 lab4 lab5 lab6 ... ... end |
| DESCRIPTION
Given the list of bonds for the solute molecule(s) ORAC generates all possible angle bendings. The keyword omit_angles allows the deletion of any angle bendings from the residue angle bendings list. Following the line with omit_angles a series of triplets of atom labels is expected. In the synopsis, lab1, lab2 and lab3 are the three atoms involved in one angle bending to be deleted from the residue list. Labels starting with a - or a + correspond to atoms belonging to the preceding and following residue in the solute sequence. |
EXAMPLES
omit_angles n ca c c ca ha end |
| WARNINGS
The keyword bonds must appear before omit_angles . |