ring_conf Command Help
Command: $SCHRODINGER/utilities/ring_conf
Current invocation
ring_conf -h
Syntax: ring_conf [-c conf_method] [-l lin_method] [-n num_conf] [-N]
[-retain_amide_conf] -t [-verb #] [-tmpl_gen] -v
input_file.mae output_file.mae
Options:
-c conf_method:
1: produce conformations in order of increasing
energy. (default)
2: always provide the lowest energy conformation.
3: select conformations at random.
4: provide conformations with a probability
proportional to their Boltzman weight.
5: systematically provide ring conformations.
-e value
The maximum energy (in kJ/mol) relative to the lowest.
energy conformer for output conformers.
(default: 50.0 kJ/mol)
This option sets num_conf to 8 unless the -n option
is used to specify another value.
-f fallback for fused_rings (default: 0)
0: do not use the fallback mechanism if fused_rings are not found.
1: use the fallback mechanism if template is not found
for atleast one ring_system.
2: use the fallback mechanism if template is not found
for all ring_systems.
-h print this message.
-l lin_method:
non-flexible ring generation method to use.
1: use input geometry.
2: generate everything (can lead to distorted rigid rings).
3: generate only linear parts of the molecule.
and use original geometry for the rigid rings.
-n num_conf: produce up to this many conformations for each
input conformation. (default = 1)
-N Produce exactly num_conf (see -n) conformers.
-retain_amide_conf - Retain amide conformation.
-t value
The temperature to use in Boltzman weighting.
-tmpl_gen
Generate missing templates for 6-8 membered rings.
-R Report on ring template matching.
-v Print the version number.
-verb # controls MMERR level of reporting.
0: MMERR_FATAL - only report errors
1: MMERR_WARNING - only report errors and warnings
2: MMERR_INFO - report errors, warnings, and processing
information.
3: MMERR_DEBUG - report errors, warnings, processing
information, and debugging information