libraries.read_restyp() -- read residue type library

restyp_lib_file = <str:1>

'$(LIB)/restyp.lib'

residue type library

Description:

This command reads residue types from the residue type library specified by variable restyp_lib_file. See the FAQ Section 1.8, Question 10 for the format of this file. MODELLER reads the default residue type library during startup; this command can be used to read residue type definitions for new residue types defined by the user without editing the default residue type library.

Note that if you choose to use a different residue type library, you should read it before loading parameter and topology libraries.

Example: examples/commands/read_restyp_lib.py

# Example for: libraries.read_restyp()

# This will read again a user specified residue type library, perhaps 
# to read in the new user-defined residue types.

# Just read the default file again for this example:
log.verbose()
env = environ()
env.libs.read_restyp(restyp_lib_file='$(LIB)/restyp.lib')