From 86f812bdfd2f3f2f28ad2efafec1b7f6a0c0e357 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Tue, 2 Jul 2019 15:48:38 +0200
Subject: [PATCH] Attempt to fix h36 conversion in order to trim atom numbers
cc: @gtribello
---
src/tools/PDB.cpp | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/src/tools/PDB.cpp b/src/tools/PDB.cpp
index e1fc57143..f3df3d7a2 100644
--- a/src/tools/PDB.cpp
+++ b/src/tools/PDB.cpp
@@ -528,11 +528,11 @@ bool PDB::readFromFilepointer(FILE *fp,bool naturalUnits,double scale) {
AtomNumber a; unsigned resno;
double o,b;
Vector p;
- Tools::convert(serial,a);
-
{
int result;
- const char* errmsg = h36::hy36decode(5, serial.c_str(),5, &result);
+ auto trimmed=serial;
+ Tools::trim(trimmed);
+ const char* errmsg = h36::hy36decode(5, trimmed.c_str(),trimmed.length(), &result);
if(errmsg) {
std::string msg(errmsg);
plumed_merror(msg);
--
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