Refinement of proteins at subatomic resolution with MOPRO

作者: Benoit Guillot , Laurence Viry , Regis Guillot , Claude Lecomte , Christian Jelsch

DOI: 10.1107/S0021889801001753

关键词: Electron densityCharge densityComputational physicsConjugate gradient methodSubatomic particleBlock matrixCrystallographyChemistryResolution (electron density)Structure factorComputation

摘要: … The MOPRO least-squares refinement software has thus been developed, by extensive … The average electron density parameters of the protein main chain were then refined against the …

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