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MolSig download for Linux

Free download MolSig Linux app to run online in Ubuntu online, Fedora online or Debian online

This is the Linux app named MolSig whose latest release can be downloaded as molsig-code-v1.tar.gz. It can be run online in the free hosting provider OnWorks for workstations.

Download and run online this app named MolSig with OnWorks for free.

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- 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.

MolSig


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DESCRIPTION

An algorithm to compute molecular graph descriptors considering the stereochemistry of the molecular structure, based on our previously introduced signature molecular descriptor.

The algorithm can generate two types of descriptors, one which is compliant with the Cahn-Ingold-Prelog priority rules, and a faster one based on our previous definition of a directed acyclic graph that isaugmented to a chiral molecular graph.



Audience

Science/Research



Programming Language

C


Categories

Chemistry, Bio-Informatics

This is an application that can also be fetched from https://sourceforge.net/projects/molsig/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.


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