RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
Loading...
Searching...
No Matches
Tabularize.h
Go to the documentation of this file.
1//===-- Tabularize.h - Tabularize operation ---------------------*- C++ -*-===//
2//
3// Part of the RxDock project, under the GNU LGPL version 3.
4// Visit https://rxdock.gitlab.io/ for more information.
5// Copyright (c) 1998--2006 RiboTargets (subsequently Vernalis (R&D) Ltd)
6// Copyright (c) 2006--2012 University of York
7// Copyright (c) 2012--2014 University of Barcelona
8// Copyright (c) 2019--2020 RxTx
9// SPDX-License-Identifier: LGPL-3.0-only
10//
11//===----------------------------------------------------------------------===//
16//===----------------------------------------------------------------------===//
17
18#ifndef RXDOCK_OPERATION_TABULARIZE_H
19#define RXDOCK_OPERATION_TABULARIZE_H
20
22
23#include <string>
24
25namespace rxdock {
26namespace operation {
27
31RBTDLL_EXPORT int tabularize(std::string inputSDFile, std::string outputCSVFile,
32 std::size_t nAtoms, std::size_t nDataFields);
33
34} // namespace operation
35} // namespace rxdock
36
37#endif // RXDOCK_OPERATION_TABULARIZE_H
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