François Bérenger
François Bérenger
there should be a -i option: reaction SMILES input file. And a -o option: reaction SMILES (mapped) output file
@iwatobipen you should try this updated version https://github.com/Laboratoire-de-Chemoinformatique/RDTool. They have -i and -o. It's a little slow though; about 1s per reaction and you need to set a timeout (maybe...
Hi, As I am planning to use this macro for adding more info into log messages, I think having a multi line output is not so nice. Just the current...
I start to understand that implementing this is not trivial. However, here are my naive answers: (\* no function definition *) **FUNCTION** could be empty in such cases (\* is...
mjambon said: "There is no way of distinguishing between cases (1) and (2) from the syntax only." I agree. With types it would be possible. Maybe it means that ocaml...
I agree with the conflict on having one-line messages and their understandability. Also, it is true that the example report you gave is already very useful to have an idea...
I was just curious, I am not using this library currently.
Current output: ./ocamlbrew: line 351: curl: command not found
This file could also benefit from a complete rewrite. A 100% Linux part, another 100% Mac OS X part. Then just including the right one. You can already send your...
In a competing project (https://github.com/UnixJunkie/pardi), here is my demo script: Compress a file in parallel using 1MB chunks: ``` pardi -d b:1048576 -m s -i -o .gz -w 'xz -c...