constants.py

# Copyright (c) Facebook, Inc. and its affiliates.
#
# This source code is licensed under the MIT license found in the
# LICENSE file in the root directory of this source tree.

# Constants
test_rotamers = [
    "1agy",
    "1d4t",
    "1i27",
    "1kf5",
    "1m2d",
    "1oai",
    "1sau",
    "1u2h",
    "1wkq",
    "1zuu",
    "2bt9",
    "2d5m",
    "2frg",
    "2igd",
    "1aho",
    "1eb6",
    "1i2t",
    "1kms",
    "1m9z",
    "1oh0",
    "1sfh",
    "1ucs",
    "1wyx",
    "1zwp",
    "2bv4",
    "2d8d",
    "2fwh",
    "2iim",
    "1b9o",
    "1euw",
    "1i4u",
    "1kng",
    "1mc2",
    "1ok0",
    "1swy",
    "1ufy",
    "1x6x",
    "1zzk",
    "2bwf",
    "2dfb",
    "2g6f",
    "2nsz",
    "1bkr",
    "1exr",
    "1i8o",
    "1kq6",
    "1mn8",
    "1pmh",
    "1t2i",
    "1unq",
    "1xju",
    "2a28",
    "2bzv",
    "2dko",
    "2gkr",
    "2nt4",
    "1bq8",
    "1f94",
    "1ifc",
    "1kt6",
    "1mwq",
    "1psr",
    "1t3y",
    "1uow",
    "1xmk",
    "2ab0",
    "2bzz",
    "2dsx",
    "2gud",
    "2nwd",
    "1c5e",
    "1g4i",
    "1iqz",
    "1kth",
    "1naz",
    "1qv0",
    "1t8k",
    "1uz3",
    "1xmt",
    "2aib",
    "2c2u",
    "2f01",
    "2gzv",
    "2nyb",
    "1c75",
    "1gmx",
    "1iua",
    "1l3k",
    "1nkd",
    "1r2m",
    "1tg0",
    "1vb0",
    "1xod",
    "2anv",
    "2c9v",
    "2fdn",
    "2h3l",
    "2o9u",
    "1c7k",
    "1gu2",
    "1j0p",
    "1l9l",
    "1nki",
    "1r6j",
    "1tqg",
    "1vbw",
    "1xt5",
    "2aqm",
    "2cal",
    "2fe5",
    "2h5c",
    "2pvb",
    "1cc8",
    "1h4a",
    "1jbe",
    "1lu4",
    "1npi",
    "1rg8",
    "1tt8",
    "1vfy",
    "1z2u",
    "2at8",
    "2car",
    "2fhz",
    "2hs1",
    "4lzt",
    "1ctj",
    "1h4x",
    "1jf8",
    "1lwb",
    "1nwz",
    "1rw1",
    "1tuk",
    "1vzi",
    "1zlb",
    "2au7",
    "2ccw",
    "2fj8",
    "2i4a",
    "1cxq",
    "1h97",
    "1k8u",
    "1m1q",
    "1o8s",
    "1rwy",
    "1u07",
    "1w0n",
    "1zlm",
    "2axw",
    "2chh",
    "2fma",
    "2ic6",
]

residue_names = [
    "ALA",
    "ARG",
    "ASN",
    "ASP",
    "CYS",
    "GLU",
    "GLN",
    "GLY",
    "HIS",
    "ILE",
    "LEU",
    "LYS",
    "MET",
    "PHE",
    "PRO",
    "SER",
    "THR",
    "TRP",
    "TYR",
    "VAL",
]

# X represent a generic side chain, list of valid of atoms for parsing
atom_names = ["X", "C", "N", "O", "S"]