Search found 4 matches

by jpruneda
2010.10.08 18:14
Forum: Mixtures and Flexible Systems
Topic: Check fit with alternate EOM ensemble
Replies: 6
Views: 4410

Thanks! I actually tried manually averaging the form factor files to produce one theoretical curve that I can run through oligomer (I don't know how to use a previously generated curve in crysol), but I think I must have messed up the formatting because it didn't want to read in my new file. Do you ...
by jpruneda
2010.10.05 19:17
Forum: Mixtures and Flexible Systems
Topic: Check fit with alternate EOM ensemble
Replies: 6
Views: 4410

I think we are talking about different things. I would like to check the fit of a final 20-member ensemble to a scattering curve that is different than the one for which the ensemble was originally created.
Does this make sense?
Thanks!
Jonathan
by jpruneda
2010.10.03 05:43
Forum: Mixtures and Flexible Systems
Topic: Check fit with alternate EOM ensemble
Replies: 6
Views: 4410

Check fit with alternate EOM ensemble

Hello, I have generated EOM ensembles for two similar proteins and discovered interesting differences between them. Now I'm trying to double check that these differences are truly real and my first attempt was to simply re-run GAJOE on the same pool of structures to see if I get consistent ensembles...
by jpruneda
2010.10.03 05:36
Forum: Mixtures and Flexible Systems
Topic: Protein with more than one polypeptide chain
Replies: 1
Views: 2857

You might have figured this out by now, but I have had luck with tricking RanCh to work on multiple polypeptide chains simply by adjusting the sequence file to match. If you are designing flexibility between chains, you will probably have to create a duplicate residue at the point of attachment (be ...