From f0f58599ba371641780136ad21d0aad6b93fce29 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 23 Jun 2016 13:10:52 +0200
Subject: [PATCH] fix bug, so the transform to upper case letters in the
residue name has an actual effect
---
modules/conop/src/amino_acids.cc | 41 ++++++++++++++++----------------
1 file changed, 20 insertions(+), 21 deletions(-)
diff --git a/modules/conop/src/amino_acids.cc b/modules/conop/src/amino_acids.cc
index a6c760b8e..b7cc3e5d0 100644
--- a/modules/conop/src/amino_acids.cc
+++ b/modules/conop/src/amino_acids.cc
@@ -187,66 +187,65 @@ AminoAcid ResidueNameToAminoAcid(String rn)
char ResidueNameToOneLetterCode(String rn)
{
- String upper_rn=rn;
std::transform(rn.begin(),rn.end(),rn.begin(),toupper);
- if (upper_rn == "ALA") {
+ if (rn == "ALA") {
return 'A';
}
- if (upper_rn == "ARG") {
+ if (rn == "ARG") {
return 'R';
}
- if (upper_rn == "ASN") {
+ if (rn == "ASN") {
return 'N';
}
- if (upper_rn == "ASP") {
+ if (rn == "ASP") {
return 'D';
}
- if (upper_rn == "GLN") {
+ if (rn == "GLN") {
return 'Q';
}
- if (upper_rn == "GLU") {
+ if (rn == "GLU") {
return 'E';
}
- if (upper_rn == "LYS") {
+ if (rn == "LYS") {
return 'K';
}
- if (upper_rn == "SER") {
+ if (rn == "SER") {
return 'S';
}
- if (upper_rn == "CYS") {
+ if (rn == "CYS") {
return 'C';
}
- if (upper_rn == "TYR") {
+ if (rn == "TYR") {
return 'Y';
}
- if (upper_rn == "TRP") {
+ if (rn == "TRP") {
return 'W';
}
- if (upper_rn == "THR") {
+ if (rn == "THR") {
return 'T';
}
- if (upper_rn == "VAL") {
+ if (rn == "VAL") {
return 'V';
}
- if (upper_rn == "ILE") {
+ if (rn == "ILE") {
return 'I';
}
- if (upper_rn == "MET") {
+ if (rn == "MET") {
return 'M';
}
- if (upper_rn == "LEU") {
+ if (rn == "LEU") {
return 'L';
}
- if (upper_rn == "GLY") {
+ if (rn == "GLY") {
return 'G';
}
- if (upper_rn == "PRO") {
+ if (rn == "PRO") {
return 'P';
}
- if (upper_rn == "HIS") {
+ if (rn == "HIS") {
return 'H';
}
- if (upper_rn == "PHE") {
+ if (rn == "PHE") {
return 'F';
}
return 'X';
--
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