Minimization of PDBs for Ensemble NMAs
Issue #727
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Hello Bio3D community, I was wondering if it is necessary to minimize the PDBs that I will be utilizing for my ensemble NMA. I was thinking about minimizing the PDB structures, then running NMA, however, if it is not necessary, I am thinking this could save me some time. Please feel free and let me know what is best!
Warm regards,
Daniel
Comments (2)
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Thank you so much!
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Hi Daniel,
It is not necessary. The methods bio3d provides are all structure based, which means they automatically use PDB structures as reference (minimal energy) points.