From 358cb173bf6e40918ba1f10a39e802dd5afb37c1 Mon Sep 17 00:00:00 2001 From: Diana Kondinskaia Date: Tue, 25 Feb 2025 11:54:03 +0000 Subject: [PATCH] Fixed ghecom results parsing NO_JIRA --- hotspots/wrapper_ghecom.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/hotspots/wrapper_ghecom.py b/hotspots/wrapper_ghecom.py index 5a8d34e..b39f970 100644 --- a/hotspots/wrapper_ghecom.py +++ b/hotspots/wrapper_ghecom.py @@ -57,9 +57,9 @@ def pdb_to_grid(path, template): lines = Helper.get_lines_from_file(path) for line in lines: if line.startswith("HETATM"): - coordinates = (float(line[31:38]), - float(line[39:46]), - float(line[47:54])) + coordinates = (float(line[30:38]), + float(line[38:46]), + float(line[46:54])) rinacc = float(line[61:66]) i, j, k = template.point_to_indices(coordinates) nx, ny, nz = template.nsteps