ISOLDE
Building High Quality Macromolecular Models into Low Resolution Experimental Maps
ISOLDE is unique in that it allows the model building task to be re-imagined as a truly interactive experience akin to working with a real physical molecule. It achieves this by combining the AMBER molecular dynamics forcefield (providing a high-fidelity description of the forces governing most macromolecules and small molecule ligands) with the GPU-accelerated molecular dynamics engine OpenMM, solving Newton’s laws of motion for these forces hundreds of times per second on systems of a few thousand atoms.
Advantages of ISOLDE include real-time geometric validation, automatic fixing of simple errors thus reducing time spent on manual model building, and native compatibility with cryo-EM maps and/or crystallographic data. ISOLDE can generate maps directly from crystallographic F/sigF or I/sigI data in MTZ or CIF format (and automatically re-calculate them when the model changes), as well as “static” maps from pre-calculated F/phi data.
Further information can be found at the ISOLDE Website and in the references.
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expand_more mode_edit Authors (1)Tristan Croll
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expand_more library_books References (1)
- T. I. Croll (2018), ISOLDE: a physically realistic environment for model building into low-resolution electron-density maps, Structural Biology, 74, 519–30
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expand_more cloud_download Supporting documents (1)Product brochureISOLDE.pdfAdditional files may be available once you've completed the transaction for this product. If you've already done so, please log into your account and visit My account / Downloads section to view them.
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