Rory Crean

icon company Uppsala University icon location Uppsala, Sweden icon location Data Engineer at @ScilifelabDataCentre PhD in computational biochemistry

Results 3 issues of Rory Crean

Edge Case in Definition of "Hydrogen Bond" vs "Other" Contact Type

2 comment

First, thanks for this very nice tool, it's been very useful for my work. I think I have found an "edge case" though with the "determine_ctype" function inside Biochemisty.py. I...

Export Side vs Main Chain Interaction Information to Text Files

Hello, In the PyContact GUI, each contact identified is colour coded based on whether each residue uses its side or main chain. However, when I go to export this data...

Export Side vs Main Chain Contact Information to Text File

Hello, In the PyContact GUI, each contact identified is colour coded based on whether each residue uses its side or main chain. However, when I go to export this data...