Getting HTMD

Please bear in mind that this free version does not have all the functionalities of HTMD Pro, which you can use by purchasing a license ( Contact us).

Installing HTMD

With conda, you can easily install HTMD by running the following commands:

conda install -c acellera -c psi4 htmd

Before using HTMD, please read the EULA and register using the command

htmd_register

If you don't accept the EULA and register at this point, HTMD will prompt for registration when the Python module is imported

In case you do not have conda

First, check if you already have conda:

conda -V

If this command reports the conda version, follow to the Installing HTMD section. If not, download the appropriate following package:

Linux

64-bit (bash installer)

Now, to install the conda package manager, go to directory where to you downloaded the previous package and run:

bash Miniconda3-latest-*-x86_64.sh

And follow the instructions.

Start using HTMD

Start using HTMD by either starting an interactive Python shell:

ipython

Or by opening an ipython notebook:

jupyter-notebook

On either case, import the module and start using HTMD:

from htmd.ui import *

Updating HTMD

If you want to update HTMD to the latest version, run:

conda update -c acellera -c psi4 htmd