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).
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
If you don't accept the EULA and register at this point, HTMD will prompt for registration when the Python module is imported
First, check if you already have conda:
If this command reports the conda version, follow to the Installing HTMD section. If not, download the appropriate following package:
Now, to install the conda package manager, go to directory where to you downloaded the previous package and run:
And follow the instructions.
Start using HTMD by either starting an interactive Python shell:
Or by opening an ipython notebook:
On either case, import the module and start using HTMD:
from htmd.ui import *
If you want to update HTMD to the latest version, run:
conda update -c acellera -c psi4 htmd