colorsToPeptide.resize(0);
colorsToPeptide.resize(colorsNames.size(), false);
for (size_t i = 0; i < colorsNames.size(); ++i) {
- colorsToPeptide[i] = isNearPeptide(trajectoryFrame, index, colorsNames[i], effRad * 9000);
+ colorsToPeptide[i] = isNearPeptide(trajectoryFrame, index, colorsNames[i], effRad);
}
// расчёт угла и среднего угла с ближайшими бета листами
std::vector< std::vector< bool > > colorsToBeta;
betaListsRVecsEvaluation(trajectoryFrame, betaLists[frnr], betaListsRVecs, indexCA);
for (size_t i = 0; i < colorsToPeptide.size(); ++i) {
if (colorsToPeptide[i]) {
- searchNearBetaLists(trajectoryFrame, betaLists[frnr], colorsNames[i], colorsToBeta[i], aminoacidsIndex, effRad * 9000);
+ searchNearBetaLists(trajectoryFrame, betaLists[frnr], colorsNames[i], colorsToBeta[i], aminoacidsIndex, effRad);
}
}
for (size_t i = 0; i < colorsToBeta.size(); ++i) {