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Recipe: MicroIdealize 5.0
Created by spvincent 33 24
4.90476
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Name: MicroIdealize 5.0
ID: 104251
Created on: Sun, 12/27/2020 - 19:59
Updated on: Mon, 12/28/2020 - 03:59
Description:

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spvincent's picture
User offline. Last seen 10 hours 18 min ago. Offline
Joined: 12/07/2007
Groups: Contenders
Algorithm outline For each

Algorithm outline

For each section (default length 3) in the selected range (default = whole protein trimming off locked segments)
Isolate that section with cut points (prevents the structure from blowing apart)
Idealize the section
Close cutpoints
Wiggle

Changes:

1) Trimmed off locked segments in initial residue settings.
2) Tidied up code and added a couple of options: use IdealizeSS instead of Idealize which changes a different set of torsion values.
3) Allow use of Local Wiggle rather than Wiggle All: if set then the final wiggle after closing the cut will be a local wiggle defined by the section values +/- the value of Local Wiggle Spacer. Useful as an alternative to Quickfix for fast fixing of bad Idealities.

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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, Boehringer Ingelheim, RosettaCommons