Friederike Biermann

Error loading data/trp file to new for mdanalysis 0.20?

6

Hey, I really want to use your tool, because it looks so convenient (and open source which I love). While installing I was only able to get pycontact to work...

I added a small function that calculates the exact mass (average mass, not monoisotopic) of a structure object. I think it will be neat for everyone using it for NP...

Fixed bug in hydrolysis so that the atoms of the original structure are not renamed by adding the water

Analyse subsequence of genome

2

Hi I'd like to inquire if bgcflow allows for the analysis of a specific region within a contig. For instance, I'm interested in examining the sequence NT_187580.1, spanning positions 169942...

fix(dataset): fix for splitted files

1

the previous implementation overwrote older entries when using multiple files during pandas df generation