public static HMutation FromPdb
(Pdb wtpdb, Pdb mutpdb
, string wt_pdbid = null, string mut_pdbid = null
, int?wt_pdb_model = null, char?wt_pdb_altLoc = null, char?wt_pdb_chainID = null, char?wt_pdb_iCode = null
, int?mut_pdb_model = null, char?mut_pdb_altLoc = null, char?mut_pdb_chainID = null, char?mut_pdb_iCode = null
)
{
if ((wtpdb.models.Length >= 2) && wt_pdb_model == null)
{
wt_pdb_model = 0;
} // HDebug.Assert(false);
if ((mutpdb.models.Length >= 2) && mut_pdb_model == null)
{
mut_pdb_model = 0;
} // HDebug.Assert(false);
Pdb.Atom[] wt_atoms = wtpdb.SelectAtoms(imodel: wt_pdb_model, altLoc: wt_pdb_altLoc, chainID: wt_pdb_chainID, iCode: wt_pdb_iCode);
Pdb.Atom[] mut_atoms = mutpdb.SelectAtoms(imodel: mut_pdb_model, altLoc: mut_pdb_altLoc, chainID: mut_pdb_chainID, iCode: mut_pdb_iCode);
Pdb.Residue[] wt_resis = wt_atoms.ListResidue();
Pdb.Residue[] mut_resis = mut_atoms.ListResidue();
Tuple <string, int>[] wt_resn_resi = wt_resis.HListResNameSeq();
Tuple <string, int>[] mut_resn_resi = mut_resis.HListResNameSeq();
Tuple <string, string, int, string>[] mutationinfos =
FromResnResi
(wt_resn_resi
, mut_resn_resi
, rngLcsLen: new Tuple <int, int>((int)(wt_resis.Length * 0.8), (int)(wt_resis.Length * 1.2))
);
return(new HMutation
{
wt_pdb = wtpdb, mut_pdb = mutpdb,
wt_pdbid = wt_pdbid, mut_pdbid = mut_pdbid,
wt_ResSeq = wt_resis.HListResSeq(), mut_ResSeq = mut_resis.HListResSeq(),
wt_ResName = wt_resis.HListResName(), mut_ResName = mut_resis.HListResName(),
wt_pdb_model = wt_pdb_model, mut_pdb_model = mut_pdb_model,
wt_pdb_altLoc = wt_pdb_altLoc, mut_pdb_altLoc = mut_pdb_altLoc,
wt_pdb_chainID = wt_pdb_chainID, mut_pdb_chainID = mut_pdb_chainID,
wt_pdb_iCode = wt_pdb_iCode, mut_pdb_iCode = mut_pdb_iCode,
mutationinfos = mutationinfos
});
}
