Lukas: Created page with "=MOLE 2.5 release= Mole 2.5 release contains among several bugfixes these main features: * Support of the new PDB standard - the [http://mmcif.wwpdb.org/ mmCIF file format]...."

2017-07-12T14:12:02Z

Created page with "=MOLE 2.5 release= Mole 2.5 release contains among several bugfixes these main features: * Support of the new PDB standard - the [http://mmcif.wwpdb.org/ mmCIF file format]...."

New page

=MOLE 2.5 release=

Mole 2.5 release contains among several bugfixes these main features:
* Support of the new PDB standard - the [http://mmcif.wwpdb.org/ mmCIF file format].
* Definition of user end points, where the channel should exit.
* Integration of [[PatternQuery:UserManual | PatternQuery language]] for definition channel start points as well as parts of the structure which should be discarded prior to the calculation
* New weight function suitable for pore identification, and improved weight function for identification of buried tunnels.
* Results can be exported in [https://cs.wikipedia.org/wiki/JavaScript_Object_Notation JSON format]

On the top of these features, which are available in the command-line version of the tool, other features are available on the web server
* Automatic identification of transmembrane pores
* Integration of ''[[LiteMol:UserManual | LiteMol Viewer]]'', a powerful 3D molecular viewer which requires only modern web browser

Mole:News - Revision history

Lukas: Created page with "=MOLE 2.5 release= Mole 2.5 release contains among several bugfixes these main features: * Support of the new PDB standard - the [http://mmcif.wwpdb.org/ mmCIF file format]...."