diff --git a/modules/io/doc/io.rst b/modules/io/doc/io.rst
index b64a01e797dda4d2357720923c493c507b8d0097..57677f7a5df111fefe328e35c1e2e64ba1fcfb4f 100644
--- a/modules/io/doc/io.rst
+++ b/modules/io/doc/io.rst
@@ -95,6 +95,13 @@ behaviour.
pdb_str = pdb.read()
ent = io.PDBStrToEntity(pdb_str, ost.io.profiles['DEFAULT'], True)
+.. function:: SDFStrToEntity(sdf_string)
+
+ Load entity from a string in SDF format.
+
+ :param pdb_string: A SDF file as a string.
+
+ :rtype: :class:`~ost.mol.EntityHandle`.
.. class:: ost.io.OMF
@@ -267,6 +274,14 @@ file:
:rtype: string.
+.. function:: EntityToSDFStr(ent)
+
+ Return entity as a string in SDF format.
+
+ :param entity: The :class:`~ost.mol.EntityHandle` or :class:`~ost.mol.EntityView`
+
+ :rtype: string.
+
.. _seq-io:
Sequences and Alignments
diff --git a/modules/io/pymod/wrap_io.cc b/modules/io/pymod/wrap_io.cc
index ccf86b566efb31ca271eb81f4840cf483dd56ba7..0731751124b73221c44440191147c2b101276389 100644
--- a/modules/io/pymod/wrap_io.cc
+++ b/modules/io/pymod/wrap_io.cc
@@ -32,6 +32,7 @@ using namespace boost::python;
#include <ost/io/mol/entity_io_mae_handler.hh>
#include <ost/io/mol/entity_io_sdf_handler.hh>
#include <ost/io/mol/pdb_reader.hh>
+#include <ost/io/mol/sdf_str.hh>
#include <ost/io/mol/dcd_io.hh>
#include <ost/io/stereochemical_params_reader.hh>
using namespace ost;
@@ -65,6 +66,9 @@ BOOST_PYTHON_FUNCTION_OVERLOADS(save_entity_view_ov,
ost::mol::alg::StereoChemicalProps (*read_props_a)(String filename, bool check) = &ReadStereoChemicalPropsFile;
ost::mol::alg::StereoChemicalProps (*read_props_b)(bool check) = &ReadStereoChemicalPropsFile;
+String (*sdf_str_a)(const mol::EntityHandle&)=&EntityToSDFString;
+String (*sdf_str_b)(const mol::EntityView&)=&EntityToSDFString;
+
}
void export_pdb_io();
@@ -117,6 +121,11 @@ BOOST_PYTHON_MODULE(_ost_io)
(arg("sequence"), arg("filename"), arg("format")="auto"));
def("LoadSDF", &LoadSDF);
+ def("EntityToSDFStr", sdf_str_a);
+ def("EntityToSDFStr", sdf_str_b);
+
+ def("SDFStrToEntity", &SDFStringToEntity);
+
def("LoadCRD", &LoadCRD);
def("LoadCHARMMTraj_", &LoadCHARMMTraj, (arg("ent"), arg("trj_filename"),
arg("stride")=1, arg("lazy_load")=false,
diff --git a/modules/io/src/mol/CMakeLists.txt b/modules/io/src/mol/CMakeLists.txt
index 92d769f38df294adefa3d740840201416986ae0f..5f17d12bc4ba6d5c991275b859ce1330253f5551 100644
--- a/modules/io/src/mol/CMakeLists.txt
+++ b/modules/io/src/mol/CMakeLists.txt
@@ -20,6 +20,7 @@ star_parser.cc
mmcif_reader.cc
mmcif_info.cc
pdb_str.cc
+sdf_str.cc
mmcif_str.cc
stereochemical_params_reader.cc
omf.cc
@@ -50,6 +51,7 @@ surface_io_handler.hh
load_surface.hh
surface_io_msms_handler.hh
pdb_str.hh
+sdf_str.hh
mmcif_str.hh
stereochemical_params_reader.hh
omf.hh
diff --git a/modules/io/src/mol/sdf_str.cc b/modules/io/src/mol/sdf_str.cc
new file mode 100644
index 0000000000000000000000000000000000000000..a2977c432bf3ec90647de1b05dc8eb5a2afb3f74
--- /dev/null
+++ b/modules/io/src/mol/sdf_str.cc
@@ -0,0 +1,48 @@
+//------------------------------------------------------------------------------
+// This file is part of the OpenStructure project <www.openstructure.org>
+//
+// Copyright (C) 2008-2020 by the OpenStructure authors
+//
+// This library is free software; you can redistribute it and/or modify it under
+// the terms of the GNU Lesser General Public License as published by the Free
+// Software Foundation; either version 3.0 of the License, or (at your option)
+// any later version.
+// This library is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
+// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
+// details.
+//
+// You should have received a copy of the GNU Lesser General Public License
+// along with this library; if not, write to the Free Software Foundation, Inc.,
+// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
+//------------------------------------------------------------------------------
+#include <sstream>
+#include <ost/io/mol/sdf_str.hh>
+#include <ost/io/mol/sdf_writer.hh>
+#include <ost/io/mol/sdf_reader.hh>
+
+namespace ost { namespace io {
+
+String EntityToSDFString(const mol::EntityHandle& ent) {
+ std::stringstream stream;
+ SDFWriter writer(stream);
+ writer.Write(ent);
+ return stream.str();
+}
+
+String EntityToSDFString(const mol::EntityView& ent) {
+ std::stringstream stream;
+ SDFWriter writer(stream);
+ writer.Write(ent);
+ return stream.str();
+}
+
+mol::EntityHandle SDFStringToEntity(const String& sdf) {
+ std::stringstream stream(sdf);
+ SDFReader reader(stream);
+ mol::EntityHandle ent = mol::CreateEntity();
+ reader.Import(ent);
+ return ent;
+}
+
+}}
diff --git a/modules/io/src/mol/sdf_str.hh b/modules/io/src/mol/sdf_str.hh
new file mode 100644
index 0000000000000000000000000000000000000000..87987679ed7ad28a6e3023f536ad6c6fb716f7f7
--- /dev/null
+++ b/modules/io/src/mol/sdf_str.hh
@@ -0,0 +1,40 @@
+//------------------------------------------------------------------------------
+// This file is part of the OpenStructure project <www.openstructure.org>
+//
+// Copyright (C) 2008-2020 by the OpenStructure authors
+//
+// This library is free software; you can redistribute it and/or modify it under
+// the terms of the GNU Lesser General Public License as published by the Free
+// Software Foundation; either version 3.0 of the License, or (at your option)
+// any later version.
+// This library is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
+// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
+// details.
+//
+// You should have received a copy of the GNU Lesser General Public License
+// along with this library; if not, write to the Free Software Foundation, Inc.,
+// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
+//------------------------------------------------------------------------------
+#ifndef OST_IO_SDF_STR_HH
+#define OST_IO_SDF_STR_HH
+
+#include <ost/io/module_config.hh>
+#include <ost/mol/entity_view.hh>
+#include <ost/mol/entity_handle.hh>
+
+namespace ost { namespace io {
+
+// Saves an entity to a string in PDB format.
+String DLLEXPORT_OST_IO
+EntityToSDFString(const mol::EntityHandle& ent);
+
+String DLLEXPORT_OST_IO
+EntityToSDFString(const mol::EntityView& ent);
+
+mol::EntityHandle DLLEXPORT_OST_IO
+SDFStringToEntity(const String& pdb);
+
+}}
+
+#endif