Open MathewGolding opened 8 months ago
Created a new function in car.util (getPlateMap). Currently only in mathewsb branch. Input: getPlateMap(#)
where # refers to the plate ID number. e.g. getPlateMap(74)
will generate a plate map for plate ID 74 in tmp-files. Needs some refinement, e.g. adding a column for index number.
Currently needs a tmp-files folder -> in future find a way to send this to a usable folder within windows outside of CAR and fragalysis dev files
Has gone through some iterations since last updated. No longer breaks if only 1 reactant, uses list and allows output directory to be specified.
Need to create a new function in car.utils that generates the entire platemap (index, target name, smiles, MW, reactant smiles, reactant MW) from the plate ID rather than pulling individual parts of the platemap information and manually copy and pasting into an excel.