subject:"\[Rdkit\-discuss\] Append to SD file with SDWriter"

Re: [Rdkit-discuss] Append to SD file with SDWriter

2013-10-19 Thread Paolo Tosco

Dear Kirk, you may open the existing file in 'append' mode with open() and pass the file object to the SDWriter instead of the filename, e.g.: sdfFile = open('molecule.sdf', 'a') w = Chem.SDWriter(sdfFile) w.write(yourMol) Cheers, Paolo On 10/19/2013 04:40 PM, Robert DeLisle wrote: I would

[Rdkit-discuss] Append to SD file with SDWriter

2013-10-19 Thread Robert DeLisle

I would like to have the option to append to the end of an existing SD file. Is there an option for that with the SDWriter? -Kirk -- October Webinars: Code for Performance Free Intel webinars can help you accelerate appli