Fragalysis

To use these functions import them like this

from hippo.fragalysis import download_target

Functions for interfacing with Fragalysis data

exception hippo.fragalysis.UnsupportedFragalysisLongcodeError

Provided Fragalysis observation long code syntax is not supported

hippo.fragalysis.find_observation_longcode_matches(query: str, codes: list[str], debug: bool = False, allow_version_none: bool = False) → list[str]

hippo.fragalysis.generate_header(pose, method, ref_url, submitter_name, submitter_email, submitter_institution, generation_date: str | None = None, extras=None, metadata: bool = True) → Chem.Mol

Generate a header molecule for Fragalysis RHS upload

hippo.fragalysis.parse_observation_longcode(longcode: str) → dict[str]

Parse a Fragalysis longcode and try to extract the following information:

• Target name (target)

• Crystal/dataset code (crystal)

• Chain letter (chain)

• Residue number (residue_number)

• Version number (version)

Returns:

dictionary of the above keys in parentheses