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https://github.com/schrodinger/pymol-open-source.git
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46 lines
1.3 KiB
C
46 lines
1.3 KiB
C
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/*
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A* -------------------------------------------------------------------
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B* This file contains source code for the PyMOL computer program
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C* Copyright (c) Schrodinger, LLC.
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D* -------------------------------------------------------------------
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E* It is unlawful to modify or remove this copyright notice.
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F* -------------------------------------------------------------------
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G* Please see the accompanying LICENSE file for further information.
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H* -------------------------------------------------------------------
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I* Additional authors of this source file include:
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-*
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-*
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-*
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Z* -------------------------------------------------------------------
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*/
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#ifndef _H_Match
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#define _H_Match
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struct PyMOLGlobals;
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struct CMatch {
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PyMOLGlobals* G{};
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float** smat{};
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float** mat{};
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float** da;
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float** db{};
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int na{};
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int nb{};
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int* pair{};
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float score{}; /* result */
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int n_pair{};
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};
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CMatch *MatchNew(PyMOLGlobals * G, unsigned int na, unsigned int nb, int dist_mats);
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int MatchResidueToCode(CMatch * I, int *vla, int n);
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int MatchMatrixFromFile(CMatch * I, const char *fname, int quiet);
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int MatchPreScore(CMatch * I, int *vla1, int n1, int *vla2, int n2, int quiet);
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void MatchFree(CMatch * I);
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int MatchAlign(CMatch * I, float gap_penalty, float ext_penalty,
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int max_gap, int max_skip, int quiet, int window, float ante);
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#endif
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