Marco Giulini

analysis docs

2

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create alpha version of optint module

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related to #515. The idea is to create a module that optimizes an interface (provided in input) by properly minimizing the haddock score of the complex. The first, preliminary step...

updated haddock3 tutorials

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Closes #662 by updating a bit the haddock3 tutorials

PR #671 added some useful info in the protein-protein molmod tutorial. We should do the same for the related protein-protein tutorial

change clustering parameters' names in haddock3 tutorials

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if PR https://github.com/haddocking/haddock3/pull/769 gets merged, some parameters' names must be changed also in the haddock3 tutorials

Closes #124

given an arctic3d run, it would be useful to translate the retrieved data into an input pdb file. This requires: - the alignment of the input pdb file with the...

- the user provides a main UNIPROT ID and other secondary UNIPROT IDs - we align the sequences of all of them - we extract the interfaces available for the...

currently, if the user gives a pdb in input without a set of interfaces, we assume its numbering to be coherent with the uniprot one. This is kind of limiting,...