Install & Configure¶
Pip as a developer¶
You can get rna-tools and install them from the current directory with this pip:
pip install -e git+http://github.com/mmagnus/rna-tools.git#egg=rna-tools
This way is better (than
pip install rna-tools) if you’re going to do some coding in the tools.
You can even first get rna-tools with git and then do:
$ pip install -e . Obtaining file:///Users/magnus/work/src/rna-tools
to “install” with pip rna-tools based on a set of links to the current directory.
Test if installed¶
Test if the package is installed:
$ python -c 'import rna_tools' # ipython -c 'import rna_tools.tools.rna_calc_rmsd.rna_calc_rmsd' (to test specific tools)
if nothing appears that’s good. If you see this:
$ python -c 'import rna_tools' Traceback (most recent call last): File "<string>", line 1, in <module> ImportError: No module named rna_tools
then go to your config file for the shell (~/.zshrc or ~/.bashrc) add add:
PYTHONPATH=<path to rna-tools>/:$PYTHONPATH export PYTHONPATH
so in my case this is:
PYTHONPATH=<path to rna-tools>/home/magnus/src/rna-tools/:$PYTHONPATH export PYTHONPATH
To set up your own configuration, create ~/.rna_tools.py in your HOME directory and redefine variables, e.g.:
(py37) [mx] rna-tools$ git:(master) ✗ cat ~/.rna_tools.py VARNA_PATH = '/Users/magnus/work/opt/varna' VARNA_JAR_NAME = 'VARNA.jar' SIMRNA_DATA_PATH = '/Users/magnus/work/opt/simRNA/SimRNA_64bitIntel_MacOSX_staticLibs/data' QRNAS_PATH = "/Users/magnus/work/opt/qrnas/" RCHIE_PATH = "/Users/magnus/work/opt/r-chie/" RFAM_DB_PATH = "/Users/magnus/work/db/rfam/Rfam.cm" CONTEXTFOLD_PATH = "/Users/magnus/work/opt/ContextFold_1_00/" DIFF_TOOL = "open -a diffmerge" CPUS_CLUSTER = 630 RNASTRUCTURE_PATH = "/Users/magnus/work/opt/RNAstructure/6.1/" ENTRNA_PATH = "/Users/magnus/work/opt/ENTRNA"
To get ALL requirements, use
pip install -r docs/requirements.txt
Be default rna-tools will not install all requirements, because some of them are heavy or might cause various problems, so you will be asked to install them when needed. For example, installing matplotlib is not essential for many other tools, python-Levenshtein is only used in one function.
This is still under active development.
To test (almost) all rna-tools functionality, you can run
rna_tools_test_all.py to see if you got any errors, this should look like:
(py37) [mm] rna-tools$ git:(master) rna_tools_test_all.py BlastPDB requires urllib3 - Python: 3.7.4 (default, Aug 13 2019, 15:17:50) [Clang 4.0.1 (tags/RELEASE_401/final)] - rna-tools: b'py2-78-g3b3dd5f' - RNA_TOOLS_PATH set to /home/magnus/work-src/rna-tools/ - See full list of tools <https://github.com/mmagnus/rna-tools/blob/master/rna-tools-index.csv Seems OK
or for Python 2:
(base) [mm] rna-tools$ git:(master) rna_tools_test_all.py - Python: 2.7.16 |Anaconda, Inc.| (default, Mar 14 2019, 16:24:02) [GCC 4.2.1 Compatible Clang 4.0.1 (tags/RELEASE_401/final)] - rna-tools: py2-78-g3b3dd5f - RNA_TOOLS_PATH set to /home/magnus/work-src/rna-tools/ - See full list of tools <https://github.com/mmagnus/rna-tools/blob/master/rna-tools-index.csv Seems OK
For crude testing you can also use
./test.sh script and then see for errors in output and also check output/ folder to see if there are differences between your output and output committed to GitHub by me.
PyMOL4RNA: adv config¶
For some extra functions you migth also follow this. Open your ~/.pymolrc and set up following variables as you need:
# rna-tools EXECUTABLE="/bin/zsh" # set up your shell, usually /bin/bash or /bin/zsh SOURCE="source ~/.zshrc" # set up the path to the file where you keep your shell variables CLARNA_RUN="/Users/magnus/work-src/clarna_play/clarna_run.py" # if you want to run clarna_run.py set up the path run ~/work-src/rna-tools/rna_tools/tools/pymol_drawing/pymol_drawing.py run ~/work-src/rna-tools/rna_tools/tools/rna_filter/pymol_dists.py
The plugins have been tested with MacPyMOL version 22.214.171.124 Edu.