isolde
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tristanic
Interactive molecular dynamics based model building into low-resolution crystallographic and cryo-EM maps
Hello again! Sorry to be the bearer of bad news. The output of `isolde write phenixRsrInput` crashes Phenix 1.20.1 RealSpaceRefine, during the ADP step. The issue seems to be from...
Dear Tristan, Is it possible to simulate heparin chains (not covalently linked to any protein) with ISOLDE? When I tried it with ISOLDE in ChimeraX, it complained that the glycan...
Hello, I happily use the residue stepper command (`isolde step` or shorthand `st`) all the time, it's very convenient. I have two suggestions that could make its use even nicer...
Hello! I love ISOLDE! I have noticed that since switching to v1.5 I'm getting the severe clash error more often. >ISOLDE has detected severe clashes in the model that the...
I'm trying to leverage just a small subset of the functionality: I have a model with several domains connected with flexible loops. I'm trying to rotate a rigid domain, but...
Following on from the interesting thread with @slochower in #2, I'd like to bring @jchodera in to the discussion on how best to make use of OpenForceField in ISOLDE and...
Is there a way to save the topology file that is generated by Isolde using the Isolde command line?
Hi Tristan, Would it be possible to implement an N/Q/H-flip feature? Cheers, Yang
Hi Tristan, Along the same lines as https://github.com/tristanic/isolde/issues/14#issuecomment-2528058885, don't suppose there's a straightforward way to trigger cycling through and setting rotamers outside of the toolpanel buttons? Sorry for being a...
Hey Tristan, if it is easy enough to implement, can you add a flip operation for nucleic acid bases?
