HPC Module: Modeller
Synopsis
Adds Modeller software to your environment
| About This Software | |
|---|---|
| Official Site | https://salilab.org/modeller/ |
| Tags | Protein, 3D Structure, Alignment |
Installed Versions
| Version | Install Date | Default? |
|---|---|---|
| 10.0 | 2021-02-26 | |
| 10.5 | 2024-01-25 | |
| 9.16 | 2016-04-01 |
Description
Modeller is most frequently used for homology or comparative protein structure modeling: The user provides an alignment of a sequence to be modeled with known related structures and Modeller will automatically calculate a model with all non-hydrogen atoms (these structures are often homologs, but certainly don’t have to be, hence the term “comparative” modeling). The best way to use Modeller is as a Python module, if you have Python installed (any version between 2.3 and 3.9). Do this using the script: modpy.sh Simply add your regular Python command line after this script, e.g.
modpy.sh python3 myscript.py
Alternatively, you can skip the 'modpy.sh' prefix if you ensure that the following directories containing Python modules are in your Python path (depending on the python version):
-Python 2.3 or 2.4:
-
/data/Apps/modeller/${version}/modlib
-
/data/Apps/modeller/${version}/lib/x86_64-intel8 -n -Python 2.5 to 2.7:
-
/data/Apps/modeller/${version}/modlib
-
/data/Apps/modeller/${version}/lib/x86_64-intel8/python2.5 -n -Python 3.0 to 3.1:
-
/data/Apps/modeller/${version}/modlib
-
/data/Apps/modeller/${version}/lib/x86_64-intel8/python3.0 -n -Python 3.2:
-
/data/Apps/modeller/${version}/modlib
-
/data/Apps/modeller/${version}/lib/x86_64-intel8/python3.2 -n -Python 3.3 to 3.9:
-
/data/Apps/modeller/${version}/modlib
* /data/Apps/modeller/${version}/lib/x86_64-intel8/python3.3
(e.g. by setting the PYTHONPATH environment variable)
Category
| Library | Programming | Software | SysAdmin |
|---|---|---|---|