diff --git a/scripting_documentation/RosettaScripts/xsd/mover_SimpleThreadingMover_type.md b/scripting_documentation/RosettaScripts/xsd/mover_SimpleThreadingMover_type.md index 974318b12..33c1730cb 100644 --- a/scripting_documentation/RosettaScripts/xsd/mover_SimpleThreadingMover_type.md +++ b/scripting_documentation/RosettaScripts/xsd/mover_SimpleThreadingMover_type.md @@ -4,21 +4,24 @@ _Autogenerated Tag Syntax Documentation:_ --- Author: Jared Adolf-Bryfogle (jadolfbr@gmail.com) +Modified: Vikram K. Mulligan (vmulligan@flatironinstitute.org) to add support for noncanonicals. This mover functions to thread the sequence of a region onto the given pose. Nothing fancy here. Useful when combined with -parser:string_vars option to replace strings within the RosettaScript. For more a more fancy comparative modeling protocol, please see the lovely RosettaCM ```xml + skip_unknown_mutant="(&bool;)" pack_rounds="(5 &positive_integer;)" + sequence_mode="(oneletter &SequenceMetric_output_modes;)" /> ``` -- **pack_neighbors**: Option to pack neighbors while threading -- **neighbor_dis**: Distance to repack neighbor side chains. Repack shell distance for each threaded residue +- **pack_neighbors**: Option to pack neighbors while threading. By default, only the mutated residues, and not the neighbors, are repacked. +- **neighbor_dis**: Distance to repack neighbor side chains. Repack shell distance for each threaded residue. Default 6.0 Angstroms. - **start_position**: (REQUIRED) Position to start thread. PDB numbering (like 30L) or Rosetta pose numbering. PDB numbering parsed at apply time to allow for pose-length changes prior to apply of this mover -- **thread_sequence**: (REQUIRED) One letter amino acid sequence we will be grafting. Currently only works for canonical amino acids +- **thread_sequence**: (REQUIRED) The residue sequence that we will be grafting. This can be provided as one-letter codes (e.g. "RSTX[DASP]LNE", comma-separated three-letter codes (e.g. "ARG,SER,THR,DAS,LEU,ASN,GLU"), base-names (e.g. "ARG,SER,THR,DASP,LEU,ASN,GLU"), or full names (e.g. "ARG,SER:N_Methylation,THR,DASP,LEU,ASN,GLU"), depending on the setting for sequence_mode. - **scorefxn**: Optional Scorefunction name passed - setup in score function block -- **skip_unknown_mutant**: Skip unknown amino acid in thread_sequence string instead of throwing an exception -- **pack_rounds**: Number of packing rounds for threading. Must be at least 1 so that substitutions are applied. +- **skip_unknown_mutant**: Skip unknown amino acids in thread_sequence string instead of throwing an exception. +- **pack_rounds**: Number of packing rounds for threading. Set this to 0 to skip all packing, in which case the new side-chains will likely be in very poor conformations. Defaults to 5. +- **sequence_mode**: The format for the input sequence. Allowed output formats are: oneletter, threeletter, basename, or fullname. ---