schrodinger.protein.helm package¶
A module to parse convert biomolecules to and from HELM strings.
The Hierarchical Editing Language for Macromolecules(HELM) was designed to create a single notation that can encode the structure of all biomolecules.
HELM encodes different types of biomolecules, including XNA, peptides, and Chem polymers, but also allows users to defined custom polymer types.
The HELM specification can be found at https://pistoiaalliance.atlassian.net/wiki/spaces/PUB/pages/13795362/HELM+Notation
Copyright Schrodinger LLC, All Rights Reserved.
- schrodinger.protein.helm.to_coarse_grain(helm_model: HelmModel) Mol¶
- schrodinger.protein.helm.parse_helm(input_helm: str) HelmModel¶
A helper function that processes a helm string into it’s individual components i.e. a HelmModel object
- schrodinger.protein.helm.get_helm_model_from_fasta_seq(seq_str: str, fasta_format: Format) HelmModel¶
Given a fasta string, constructs a HelmModel object with the parsed information from the fasta string.
- schrodinger.protein.helm.is_single_linear_polymer(monomer_mol: Mol, only_backbone_connections: bool = False) bool¶
Determine if a monomer_mol is a single linear polymer with no branches or cycles.
- schrodinger.protein.helm.is_single_polymer(monomer_mol: Mol) bool¶
Determine if a monomer_mol is a single polymer
- schrodinger.protein.helm.is_branched_polymer(monomer_mol: Mol) bool¶
Determine if a monomer mol representing a polymer is a branched polymer
- schrodinger.protein.helm.is_cyclic_polymer(monomer_mol: Mol, only_backbone_connections: bool = False) bool¶
Determine if a monomer mol representing a polymer is a cyclic polymer
- schrodinger.protein.helm.get_num_rings(monomer_mol: Mol) int¶
Return the number of rings in the monomer mol