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Re: [modeller_usage] Modeling missing residues from a second template file



On 8/15/19 8:25 AM, Danilo Boskovic wrote:
Is it possible? I know that i can model residues according to the tutorial: select the residues and use as a template to model the full structure. So i did it and the structure was severely impacted (RMSD 0.25).

If you really want to do this, note that Modeller by default will try to move all atoms to best satisfy the restraints. If you want the non-missing residues to be exactly the same as the input, make sure you only select the missing residues for refinement in select_atoms(), as per
https://salilab.org/modeller/9.22/manual/node23.html

	Ben Webb, Modeller Caretaker
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             https://salilab.org/modeller/
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