Atilio Reyes Romero

PyPDB for fetching .sdf (or .mol2) ligand coordinate

2

Dear William, Thanks for creating 'pypdb' module for such a large range of protein data. As you can see from the picture, the PDB allows downloading either ideal CCDs or...

Get SDF coordinates

1

Dear all, Is it possible to get the mol block coordinates of a query structure? Bests

Access Open Targets with Bioservices

1

Dear all, I noticed that there is (at the moment) no key/value in the dictionary of available databases to access Open Targets ( (https://www.opentargets.org/)). My goal is to access the...

Dear Mark Teese, I have made 12 dose-response experiments, each following the scheme attached below. I haven't noticed so far an option to merge n. replica in order to get...

ChemSpiPyRateError: Too Many Requests;

3

Dear all, After looping from my list of queries (45 in total), I repeated with more and got this error: ``` from chemspipy import ChemSpider cs = ChemSpider('my_api_key') c =...