BepiPred scipion plugin

Documentation under development, sorry for the inconvenience

Scipion framework plugin for the use of tools provided by BepiPred. This plugin allows to use programs from the BepiPred software within the Scipion framework. You need to download the BepiPred files before installing the plugin, see section "Download BepiPred" for details.

Download BepiPred

BepiPred is a software meant for academic use only. You can download BepiPred-3.0 in https://services.healthtech.dtu.dk/cgi-bin/sw_request?software=bepipred&version=3.0&packageversion=3.0b&platform=src.

Once you obtain the software file (a zip) you have several options to help Scipion finding it:

Option 1) Edit the scipion.conf file and add the variable: BEPIPRED_ZIP = <PathToBepiPredZip>. This way, Scipion will unzip and move the corresponding files to the scipion/software/em folder and install BepiPred.

Option 2) If you have unzipped BepiPred yourself you can either:

2.1) Move the folder (of the form BepiPred3_src) to the scipion/software/em folder. Scipion will find it there.

2.2) Specify the location of the BepiPred folder in the scipion.conf file as: BEPIPRED_HOME = <PathToBepiPred3_src>

Option 3) If you have already installed BepiPred (creating the python environment needed), you need to specify Scipion in the scipion.conf file both:

3.a) The path to the BepiPred folder as: BEPIPRED_HOME = <PathToBepiPred3_src> and

3.b) The activation command as: BEPIPRED_ACTIVATION_CMD = <ActivationCommand>

This way, Scipion will use your own BepiPred installation.

Install this plugin

You will need to use 3.0.0 version of Scipion to run these protocols. To install the plugin, you have two options:

• Stable version

scipion installp -p scipion-chem-bepipred

OR

• through the plugin manager GUI by launching Scipion and following Configuration >> Plugins

• Developer's version

1. Download repository:

git clone https://github.com/scipion-chem/scipion-chem-bepipred.git

2. Switch to the desired branch (main or devel):

Scipion-chem-bepipred is constantly under development. If you want a relatively older an more stable version, use main branch (default). If you want the latest changes and developments, user devel branch.

cd scipion-chem-bepipred
git checkout devel

3. Install:

scipion installp -p path_to_scipion-chem-bepipred --devel

• Tests

To check the installation, simply run the following Scipion test:

Buildbot status

Status devel version:

Status production version: