From b6dac8a54139632c9d251ebd3540df05fcd9bc54 Mon Sep 17 00:00:00 2001 From: Milot Mirdita Date: Thu, 11 Apr 2024 18:55:50 +0900 Subject: [PATCH] Fix wrong PDB output for large structures in convert2pdb --- src/strucclustutils/convert2pdb.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/strucclustutils/convert2pdb.cpp b/src/strucclustutils/convert2pdb.cpp index 64750581..73b40931 100644 --- a/src/strucclustutils/convert2pdb.cpp +++ b/src/strucclustutils/convert2pdb.cpp @@ -208,7 +208,7 @@ int convert2pdb(int argc, const char **argv, const Command& command) { aa = 'X'; } const char* aa3 = threeLetterLookup[(int)(aa - 'A')]; - fprintf(threadHandle, "ATOM % 5d CA %s %c% 4d% 12.3f% 8.3f% 8.3f\n", (int)(j + 1), aa3, chainName[0], int(j + 1), ca[j], ca[j + (1 * seqLen)], ca[j + (2 * seqLen)]); + fprintf(threadHandle, "ATOM %5d CA %s %c%4d %8.3f%8.3f%8.3f\n", (int)(j + 1), aa3, chainName[0], int(j + 1), ca[j], ca[j + (1 * seqLen)], ca[j + (2 * seqLen)]); } if (outputMode == LocalParameters::PDB_OUTPUT_MODE_MULTIMODEL) { fprintf(threadHandle, "ENDMDL\n");