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On Mon, Jul 17, 2006 at 03:10:18PM -0400, David Roberts wrote: > Another issue I had with the baton-Main chain was, occasionally it did > work. Now, when it did, I could not do any real space refinement (it > just gave wierd results, with triangles of atoms located all over the > place, no real sense to be made of it). So I just stopped it all > together, until I can figure out what was happening. sounds like the map might not be on the absolute scale, try (set-matrix 10.0) > One question I have on the terminal residue thing. Is it possible to > build the other way, that is, build toward the beginning? I have a > fragment which starts at residue 12, and I need to build it back to > residue 3 or so. I tried by using the add terminal residue feature, and > it does work, but the geometry it inserts is very goofy (the carbonyl is > very wrong, and needs a lot of work). Is there an easier way? I've seen it go goofy sometimes too: try this setting beforehand: (set-terminal-residue-do-rigid-body-refine 0) Paul.
