From 7f2be89572ce39479f0fede6600c68ce1e8b995d Mon Sep 17 00:00:00 2001 From: p4trykk <128367670+p4trykk@users.noreply.github.com> Date: Wed, 8 Jul 2026 10:34:33 +0200 Subject: [PATCH] Fix index for atom number extraction in Structure.py --- surfmap/tools/Structure.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/surfmap/tools/Structure.py b/surfmap/tools/Structure.py index 10df2fd..438e0c6 100755 --- a/surfmap/tools/Structure.py +++ b/surfmap/tools/Structure.py @@ -250,7 +250,7 @@ def parsePDBParticule(filin, charge = 1, infile = False) : # parcoure le PDB for line in lines : if (line[0:4] == "ATOM") or ((line[0:6] == "HETATM") and ( (line[17:20].strip() == "MET") or (line[17:20].strip() == "MSE") )) : - numpart = line[7:11].strip() + numpart = line[4:11].strip() dPDB["partlist"].append(numpart) dPDB[numpart] = {} dPDB[numpart]["x"] = float(line[30:38])