PYMOL FREE VERSION WINDOWS INSTALL
PYMOL FREE VERSION WINDOWS SOFTWARE

The target file may contain many compounds. The reference file should contain only one (reference) compound Important note: For complete installation of the plugin, a stable INTERNET connection is required.īoth the reference and the target compound files need to be in the Tripos mol2 format.

PYMOL FREE VERSION WINDOWS INSTALL

To install them open terminal and typeĪs root 'yum install tkinter python-pip' and 'pip install pyttk' (in CentOS) or 'apt-get install tkinter python-pip' and then 'pip install pyttk' (in Ubuntu).

Important note: If installation fails with 'pmg_tk' error or similar, one or both of the tkinter and ttk libraries are not installed. Once the files are properly installed, LiSiCA plugin version will be ready to use. This folder contains the executables, log files, icon files, python modules etc. lisicagui is downloaded and saved in the home directory. On successful installation, a directory named. The script downloads and installs all the required files. The lisica.py script initializes the installation of the plugin. This plugin is ready 'out-of-box' in most Linux and Windows operating systems and is available on GitHub in the Pymol-script-repo repository. The plugin was mainly tested with PyMOL 1.7.x. To work properly, the plugin requires Python with Tkinter and PyMOL. Most of the tests were performed on Windows 7, Ubuntu 14.04 and Linux Mint. The plugin should work on Windows and all variety of Unix like systems.

Structural similarity between molecules visualized using PyMOL viewer.

Results displayed according to the ranking in similarities as measured by Tanimoto coefficients.

Graphical User Interface which facilitate the choice of parameters for LiSiCA.

However, for COMMERCIAL use the potential users have to write to Janez Konc. LiSiCA Plugin is free for Academic (NON-COMMERCIAL) use. LiSiCA is developed and maintained at National Institute of Chemistry, Slovenia. The similarities are expressed using Tanimoto coefficients and the target compounds are ranked accordingly. It uses a fast maximum clique algorithm to find two- and three- dimensional similaritiesīetween reference compound and a database of target compounds in Mol2 format.

PYMOL FREE VERSION WINDOWS SOFTWARE

LiSiCA is a software for 2D and 3D ligand based virtual screening. Currently, the most recent version can be obtained at the Insilab web page.

Pymol free version windows