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bug solved: TM score overestimating of scorecomplex
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Woosub-Kim committed Aug 21, 2023
1 parent 2e9da41 commit bfe3ca2
Showing 1 changed file with 2 additions and 3 deletions.
5 changes: 2 additions & 3 deletions src/strucclustutils/scorecomplex.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -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;
}
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