From aba362c521f6be7147c7b8d73c3007e9b14d80ed Mon Sep 17 00:00:00 2001
From: Vagrant User <gerardo.tauriello@unibas.ch>
Date: Tue, 18 Jun 2019 14:31:42 +0000
Subject: [PATCH] Fix lddt binary argument parsing for complib.
---
modules/mol/alg/src/lddt.cc | 8 ++++----
1 file changed, 4 insertions(+), 4 deletions(-)
diff --git a/modules/mol/alg/src/lddt.cc b/modules/mol/alg/src/lddt.cc
index dbe122d80..8f592a37f 100644
--- a/modules/mol/alg/src/lddt.cc
+++ b/modules/mol/alg/src/lddt.cc
@@ -87,7 +87,7 @@ EntityHandle load(const String& file, const IOProfile& profile)
void usage()
{
std::cerr << "usage: lddt [options] <mod1> [mod1 [mod2]] <re1>[,ref2,ref3]" << std::endl;
- std::cerr << " -s selection performed on ref" << std::endl;
+ std::cerr << " -s <sel> selection performed on ref" << std::endl;
std::cerr << " -c use Calphas only" << std::endl;
std::cerr << " -f perform structural checks and filter input data" << std::endl;
std::cerr << " -t fault tolerant parsing" << std::endl;
@@ -99,7 +99,7 @@ void usage()
std::cerr << " -i <value> sequence separation" << std::endl;
std::cerr << " -e print version" << std::endl;
std::cerr << " -x ignore residue name consistency checks" << std::endl;
-
+ std::cerr << " -l <path> location of the compound library file" << std::endl;
}
CompoundLibPtr load_compound_lib(const String& custom_path)
@@ -178,7 +178,7 @@ int main (int argc, char **argv)
("parameter-file,p", po::value<String>(), "stereo-chemical parameter file")
("verbosity,v", po::value<int>(), "verbosity level")
("bond_tolerance,b", po::value<Real>(), "tolerance in stddev for bonds")
- ("complib", po::value<String>(&custom_path)->default_value(""),"location of the compound library file")
+ ("complib,l", po::value<String>(&custom_path)->default_value(""), "location of the compound library file")
("angle_tolerance,a", po::value<Real>(), "tolerance in stddev for angles")
("inclusion_radius,r", po::value<Real>(), "distance inclusion radius")
("sequence_separation,i", po::value<int>(), "sequence separation")
@@ -197,13 +197,13 @@ int main (int argc, char **argv)
usage();
exit(-1);
}
+ po::notify(vm);
conop::CompoundLibPtr lib = load_compound_lib(custom_path);
if (!lib) {
exit(0);
}
profile.processor = conop::RuleBasedProcessorPtr(new conop::RuleBasedProcessor(lib));
profile.processor->SetCheckBondFeasibility(false);
- po::notify(vm);
if (vm.count("version")) {
std::cout << "Version: " << version << std::endl;
exit(0);
--
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