From bfe3ca24c50573a6e638319d03ca5a3b56dfe67d Mon Sep 17 00:00:00 2001 From: Woosub-Kim Date: Mon, 21 Aug 2023 15:30:33 +0900 Subject: [PATCH] bug solved: TM score overestimating of scorecomplex --- src/strucclustutils/scorecomplex.cpp | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/src/strucclustutils/scorecomplex.cpp b/src/strucclustutils/scorecomplex.cpp index 80daa780..a343601f 100644 --- a/src/strucclustutils/scorecomplex.cpp +++ b/src/strucclustutils/scorecomplex.cpp @@ -280,10 +280,9 @@ struct ComplexToComplexAln { void getTmScore(TMaligner &tmAligner) { std::string backtrace(matches, 'M'); unsigned int normLen = std::min(qResidueLength, dbResidueLength); - tmAligner.initQuery(&qCaXVec[0], &qCaYVec[0], &qCaZVec[0], NULL, matches); - + tmAligner.initQuery(&qCaXVec[0], &qCaYVec[0], &qCaZVec[0], NULL, normLen); TMaligner::TMscoreResult tmResult= tmAligner.computeTMscore(&dbCaXVec[0], &dbCaYVec[0], &dbCaZVec[0], - matches,0,0, backtrace,normLen); + normLen,0,0, backtrace,normLen); qTmScore = tmResult.tmscore * normLen / qResidueLength; dbTmScore = tmResult.tmscore * normLen / dbResidueLength; }