Mole API
MOLE API
version 0.5.4 build 082222

MOLE API is a service for programmatic access to the MOLE 2.5 channel analysis software.

Biomacromolecular channels and pores play significant biological roles, e.g., in molecular recognition and enzyme substrate specificity. We present a RESTful web service providing a programatic access to the advanced software tool entitled MOLE 2.5, which has been designed to analyze molecular channels and pores. Benchmark tests against other available software tools showed that MOLE 2.5 is by comparison quicker, more robust and more versatile. As a new feature, MOLE 2.5 provides an automatic mode for transmembrane channel identification.

How to read the documentation: Individual parameters are marked with '<' and '>' symbols (e.g. <computationId>). In case these parameters are optional, a question mark is introduced (e.g. ?<Pores>). Parameters are appended to the source URL using '?' symbol and multiple parameters are appended to the URL using & symbol.

Support
Technical questions: webchemistryhelp@gmail.com
General questions: mole@upol.cz or webchemistryhelp@gmail.com

Initialize /Init/?<Pores>/<pdbId>?<optional parameters>
Initialize a new MOLE computation with a user structure or a PDB Id.

Submit /Submit/<Mode>/<computationId>
Submit a new computation as long as the server is not under heavy load and previous computation has been finished.

Check computation status /Status/<computationId>?<submitId>
Check status of the computation with given computation Id. Just a single running computation is allowed per computation Id.

Download results /Data/<computationId>?<submitId>?<format>
Download results of the computation in various formats as well as the input structure. If no additional parameters are provided json results of the last computation are retrieved.

Retrieve parameters /CompInfo/<computationId>
Retrieves parameters of all submissions.

CSA active site /CSA/<computationId>
Retrieves active sites annotated in the CSA database for this structure.

EBI calls /EBI/<pdbId>?<ignoreHet>
Endpoint for backward compatibility with EBI environment.

Delete computation /Delete/<computationId>
Delete entire computation folder from our server.

Kill submission /Kill/<computationId>
Kill presently running submission.

Version info /Version
Get version information about employed services

Software – MOLE binary 2.5.18.1.14 | Pores mode 1.4.5 © 2013 – now, CEITEC & FCH UPOL