News
New release 2.9
published Oct. 25, 2024, 1:30 p.m.OST 2.9 released
We just released OpenStructure 2.9.0.
See here for the release notes.
New release 2.8
published July 5, 2024, 10:49 a.m.OST 2.8 released
We just released OpenStructure 2.8.0.
This comes with significant updates!
The biggest ones are around the scoring business. There are several new features/scores and results can be different, in particular for the lDDT-PLI score. Please check the CHANGELOG for details.
Another relevant udpate is the introduction of the parasail (https://github.com/jeffdaily/parasail) library as drop-in replacement for naive LocalAlign/GlobalAlign/SemiGlobalAlign implementations. This is optional and must be enabled at compile time - see installation instructions.
We disabled numpy support in the c++ layer to simplify the build system. Some exotic OpenStructure functionality directly accessed Python numpy arrays from the c++ layer which required to compile against numpy headers.
See here for the release notes.
New release 2.7
published Feb. 7, 2024, 3:25 p.m.OST 2.7 released
We just released OpenStructure 2.7.0.
We now can write mmCIF files, handle SDF files easier and read some extra resolutions from mmCIF files.
See here for the release notes.
New release 2.6
published Dec. 8, 2023, noonOST 2.6 released
Today we announce the OpenStructure release for version 2.6. This release comes with an extended OMF format, better chain mapping, a smarter compound library and a lot more...
See here for the release notes.
New release 2.5
published June 20, 2023, 5:31 p.m.OST 2.5 released
Today we announce the OpenStructure release for version 2.5. This release comes with changed behaviour around the compound library, extended mmCIF properties reading, USalign support and a lot more...
See here for the release notes.
New release 2.4
published April 21, 2023, 1:20 p.m.OST 2.4 released
Today we announce the OpenStructure release for version 2.4. This release has too many new features for a simple summary, so ...
See here for the release notes.
New release 2.3
published Nov. 22, 2021, 12:05 p.m.OST 2.3 released
Today we announce the OpenStructure release for version 2.3. This release removes the ENABLE_IMG flag for CMake and always builds the img module. Disabling the img module was broken for a few releases now. Of course there are also some bug fixes.
See here for the release notes.
New release 2.2
published Nov. 19, 2020, 7:07 a.m.OST 2.2 released
Today we announce the OpenStructure release for version 2.2. This comes with improved membrane detection functionality, additional structure quality evaluation and some updates on third party software used by OST. Of course there are also some bug fixes.
See here for the release notes.
New release 2.1
published Sept. 17, 2020, 8:40 p.m.OST 2.1 released
Today we announce the OpenStructure release for version 2.1. This is an update to the CAD-score binding, adds support for HHblits 3 and the HMMScore. mmCIF support was updated to match the latest carbohydrate-extension. Of course there are also some bug fixes.
See here for the release notes.
New release 2.0
published March 23, 2020, 5:24 p.m.OST 2.0 released
Today we announce the OpenStructure release for version 2.0.
This is a major update dropping support for Python 2 and moving everything over to Python 3.
See here for the release notes.
New release 1.11
published Jan. 21, 2020, 5:03 p.m.OST 1.11 released
Today we announce the OpenStructure release for version 1.11.
This is just a small change from 1.10 and is expected to be the last release supporting Python 2. A new release supporting Python 3 is being tested and will be released in the coming weeks.
See here for the release notes.
New release 1.10
published Aug. 15, 2019, 11:06 a.m.OST 1.10 released
Today we announce a new major release of OST - version 1.10. We modernised our dependencies with the use of Qt5 & the system-provided SQLite3 library, better support of modern compilers, and updates for TM-align and CAD score. We also included a database-system for efficient in-memory lookup of coordinates & sequences and, as usual, included several bug fixes and general improvements. See here for the release notes.
New release 1.9
published Dec. 2, 2018, 4:57 p.m.OST 1.9 released
Today we announce a new major release of OST - version 1.9. It comes with an improved action to compare structures, better documentation and fixed handling of citations from mmCIF files. As usual it also includes some bug fixes and general improvements.
New release 1.8
published Sept. 14, 2018, 4:57 p.m.OST 1.8 released
Today we announce a new major release of OST - version 1.8. Beside a lot of cleanups, there are now recipes for container solutions. Of course there are new bug fixes, especially in the mmCIF writer.
New release 1.7.1
published March 2, 2018, 10:42 a.m.OST 1.7.1 released
Today we announce a bugfix release of OST - version 1.7.1. This comes with slight improvements in the documentation plus a couple of bug fixes.
New release 1.7
published Dec. 6, 2017, 12:07 p.m.OST 1.7 released
Today we announce a new major release of OST - version 1.7. This comes with a new Quaternary Structure (QS) scoring module, an updated mmCIF parser to mmCIF dictionary version 5, our own implementation of naccess & dssp and the usual bug fixes and minor improvements.
New release 1.6
published Nov. 10, 2016, 2:57 p.m.OST 1.6 released
Today we announce a new major release of OST - version 1.6. This enables comparing structures which belong to a multiple sequence alignment. The mm module now supports Antechamber based force-fields.
New release 1.5
published June 20, 2016, 3:04 p.m.OST 1.5 released
Today we announce a new major release of OST - version 1.5. Beside upgrading dependencies, we now support OpenMM directly from within OST. Another new wrapper is for HHblits. The compounds library now features InChI codes and Key. Beside this, there are a few minor improvements and bug fixes.
New Release 1.4
published March 5, 2015, 3:36 p.m.OST 1.4 released
Today we announce a new major release of OST - version 1.4. We now support the mmCIF (http://mmcif.wwpdb.org/) format as input (link to page how to load mmCIF), including a large portion of the additional information (link to mmcifinfo docu). This enables you to create a complete biological unit of a PDB structure by looking at just a single file. What is missing with this release, are binary bundles of OST. Well, not all of them, we still keep the OSX binaries, but bundles for various Linux distributions are discontinued. Other changes may be seen in the conop module (link to docu), there have been quite some speed ups and of course, bug fixes.
New Homepage
published June 9, 2010, 3:09 a.m.OpenStructure has a new website with a completely new design, updated documentation and other goodies.
During the past two weeks we have been working to update the OpenStructure website. The site comes in a shiny new dress and is less scary than the previous version.
The website also includes new documentation written with the sphinx documentation generator. Rather than documenting functions at the C++ level, we focus our attention to Python, trying to make it easier for people with little or no knowledge of C++ to understand the OpenStructure framework. Please be aware that this is work in progress and far from complete. So if you would like to have some functionality documented, just drop us a note.