Retrosynthesis scipion plugin
Documentation under development, sorry for the inconvenience Scipion framework plugin for the use of retrosynthesis software tools.
Install this plugin
You will need to use Scipion3 to run these protocols.
Aizynthfinder, is installed automatically by Scipion.
Install the stable version
Through the plugin manager GUI by launching Scipion and following Others >> Plugin Manager
or
scipion3 installp -p scipion-chem-retrosynthesis
Developer’s version
Download repository:
git clone https://github.com/scipion-chem/scipion-chem-retrosynthesis.git
Install:
scipion3 installp -p /path/to/scipion-chem-retrosynthesis --devel
Protocols
This plugin contains the following protocols:
None for now
Packages & enviroments
Packages installed by this plugin can be located in /path/to/scipion/software/em/.
The following packages will be created:
aizynthfinder-version
Where version is the current version of that specific package.
Also, the following conda enviroments will be created:
aizynthfinder-version
As of today, Scipion does not automatically uninstall the conda enviroments created in the installation process when uninstalling a plugin, so keep this list in mind if you want to clean up some disk space if you need to uninstall this one.
External software
This plugin integrates the following software:
Aizynthfinder: Tool for retrosynthetic planning.
Changelog
All the recent version changes can be found here.
1 maintainer
Metadata
1 maintainer
Release files for scipion-chem-retrosynthesis 0.2
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| scipion_chem_retrosynthesis-0.2.tar.gz | 23.0 kB | Without provenance | Details for scipion_chem_retrosynthesis-0.2.tar.gz |
Release files / scipion_chem_retrosynthesis-0.2.tar.gz
| Download URL | scipion_chem_retrosynthesis-0.2.tar.gz |
|---|---|
| Size | 23.0 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
889b045d058263cc9ab20d6ee41192660e30456ce523a59c6043f33af5cfb643
|
|
BLAKE2b-256 checksum How to use checksums |
1b8af11027857b4800b6f1546f4eafeb13a3b83b24b607c4d89c4e67d3e1f410
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.5
|
Security for scipion-chem-retrosynthesis 0.2
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No provenance found
None of the files in this release were uploaded with provenance metadata.
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