RxDock
0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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include
rxdock
operation
Tabularize.h
Go to the documentation of this file.
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//===-- Tabularize.h - Tabularize operation ---------------------*- C++ -*-===//
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//
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// Part of the RxDock project, under the GNU LGPL version 3.
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// Visit https://rxdock.gitlab.io/ for more information.
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// Copyright (c) 1998--2006 RiboTargets (subsequently Vernalis (R&D) Ltd)
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// Copyright (c) 2006--2012 University of York
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// Copyright (c) 2012--2014 University of Barcelona
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// Copyright (c) 2019--2020 RxTx
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// SPDX-License-Identifier: LGPL-3.0-only
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//
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//===----------------------------------------------------------------------===//
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//===----------------------------------------------------------------------===//
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#ifndef RXDOCK_OPERATION_TABULARIZE_H
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#define RXDOCK_OPERATION_TABULARIZE_H
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#include "
rxdock/support/Export.h
"
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#include <string>
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namespace
rxdock {
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namespace
operation {
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RBTDLL_EXPORT
int
tabularize
(std::string inputSDFile, std::string outputCSVFile,
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std::size_t nAtoms, std::size_t nDataFields);
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}
// namespace operation
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}
// namespace rxdock
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#endif
// RXDOCK_OPERATION_TABULARIZE_H
Export.h
rxdock::operation::tabularize
RBTDLL_EXPORT int tabularize(std::string inputSDFile, std::string outputCSVFile, std::size_t nAtoms, std::size_t nDataFields)
Represents structure-data file (SDF) as a CSV table.
Definition
Tabularize.cxx:25
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