This is the Linux app named RDKit to run in Linux online whose latest release can be downloaded as RDKit_2016_03_1.tgz. It can be run online in the free hosting provider OnWorks for workstations.
Download and run online this app named RDKit to run in Linux online with OnWorks for free.
Follow these instructions in order to run this app:
- 1. Downloaded this application in your PC.
- 2. Enter in our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.
- 3. Upload this application in such filemanager.
- 4. Start the OnWorks Linux online or Windows online emulator or MACOS online emulator from this website.
- 5. From the OnWorks Linux OS you have just started, goto our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.
- 6. Download the application, install it and run it.
RDKit to run in Linux online
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DESCRIPTION
A collection of cheminformatics and machine-learning software written in C++ and Python.NOTE: the RDKit source code and downloads are now in github: https://github.com/rdkit/rdkit
The core algorithms and data structures are written in C++. Wrappers are provided to use the toolkit from either Python or Java.
Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and similarity searches.
Audience
Science/Research, Advanced End Users, Developers
Programming Language
Python, C++, Java
Database Environment
PostgreSQL (pgsql)
This is an application that can also be fetched from https://sourceforge.net/projects/rdkit/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
