From dd79138c498319c09c603ddde9084ac8defc2a2e Mon Sep 17 00:00:00 2001 From: Anatoly Date: Wed, 21 Oct 2020 14:37:43 +0300 Subject: [PATCH] - resind starts from 0 --- src/colorvec.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/colorvec.cpp b/src/colorvec.cpp index b440569..931b8e6 100644 --- a/src/colorvec.cpp +++ b/src/colorvec.cpp @@ -132,7 +132,7 @@ inline void aminoacidsIndexation(const std::vector< size_t > &inputIndex, const aminoacidsIndex.resize(0); for (size_t i = 0; i < inputIndex.size(); ++i) { std::cout << top.atoms()->atom[inputIndex[i]].resind << std::endl; - aminoacidsIndex.resize(std::max(aminoacidsIndex.size(), static_cast< size_t >(top.atoms()->atom[inputIndex[i]].resind))); + aminoacidsIndex.resize(std::max(aminoacidsIndex.size(), static_cast< size_t >(top.atoms()->atom[inputIndex[i]].resind + 1))); aminoacidsIndex[top.atoms()->atom[inputIndex[i]].resind - 1].push_back(inputIndex[i]); } } -- 2.22.0