https://pypi.org/project/virialize/ Recent updates to the Python Package Index for virialize en https://pypi.org/project/virialize/0.1.3/ Calculates the osmotic second virial coefficient (B2), and dissociation constant (Kd), for two rigid (macro)molecules, e.g. globular proteins. Done by explicit summation of the partition function in six dimensions (angular space and rigid-body separation). Calvados 3 parameters for use with coarsed grained amino acids are provided, but any pair-wise additivie potential can be used. lyssky@icloud.com Mon, 02 Dec 2024 20:16:20 GMT https://pypi.org/project/virialize/0.1.2/ Calculates the osmotic second virial coefficient (B2), and dissociation constant (Kd), for two rigid (macro)molecules, e.g. globular proteins. Done by explicit summation of the partition function in six dimensions (angular space and rigid-body separation). Calvados 3 parameters for use with coarsed grained amino acids are provided, but any pair-wise additivie potential can be used. lyssky@icloud.com Mon, 02 Dec 2024 12:36:40 GMT https://pypi.org/project/virialize/0.1.1/ Calculates the osmotic second virial coefficient (B2), and dissociation constant (Kd), for two rigid (macro)molecules, e.g. globular proteins. Done by explicit summation of the partition function in six dimensions (angular space and rigid-body separation). Calvados 3 parameters for use with coarsed grained amino acids are provided, but any pair-wise additivie potential can be used. lyssky@icloud.com Mon, 02 Dec 2024 12:05:42 GMT https://pypi.org/project/virialize/0.1.0/ Calculates the osmotic second virial coefficient (B2), and dissociation constant (Kd), for two rigid (macro)molecules, e.g. globular proteins. Done by explicit summation of the partition function in six dimensions (angular space and rigid-body separation). Calvados 3 parameters for use with coarsed grained amino acids are provided, but any pair-wise additivie potential can be used. lyssky@icloud.com Mon, 02 Dec 2024 11:29:33 GMT