Prodigy Error Rename File?

PRODIGY
1

Hi,

I’m using Prodigy to estimate the binding energy for a number of my docked Haddock complexes.

It provides beautiful data for some complexes, but for others, the program seems to change my file name, and consistently returns the following data (see below).

Do you know what’s going on? Is this an error?

Thanks,

Nannette

Protein-protein Complex: 2oob

Delta G: -6.2

Kd: 2.7E-05

I also get the following data back:

Number of Interfacial Contacts (ICs) per property:

ICs charged-charged: 3
ICs charged-polar: 3
ICs charged-apolar: 13
ICs polar-polar: 0
ICs polar-apolar: 2
ICs apolar-apolar: 15

Non Interacting Surface (NIS) per property:

NIS charged: 38.04%
NIS apolar: 34.78%
2

Hi there,

It looks like you’ve run into an error. Could you provide some additional details, for example run id? Ideally we would need to reproduce the error so if you could share input files that’d be great

Best regards

3

Hi,

Thanks so much for getting back to me! Though actually, now it’s working!

In case you still want to try to troubleshoot, here are the specifics from a run that didn’t work. Below is the link with the run id. I’ve also attached the original docked Haddock file.

https://bianca.science.uu.nl/prodigy/run/3DPnhaTQ

Thanks again!

Nannette

2AGTX ABc 1AGT.pdb (347 KB)