- Aug 14, 2018
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Rafal Gumienny authored
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Rafal Gumienny authored
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- Aug 13, 2018
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Gerardo Tauriello authored
Ensures compilation in GCC compilers which have C++11 by default.
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- Aug 10, 2018
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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- Aug 09, 2018
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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- Aug 07, 2018
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Gerardo Tauriello authored
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- Jul 31, 2018
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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- Jul 20, 2018
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Rafal Gumienny authored
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- Jul 19, 2018
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Rafal Gumienny authored
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- Jul 18, 2018
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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- Jul 10, 2018
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
This function assumes the user knows what he's doing, this is also clearly stated in the documentation: "RMSD of atom positions (taken blindly in the order in which the atoms appear) in the two given views." This check at least avoids a segfault when the number of atoms does not match. The result would be completely wrong anyway...
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- Jul 06, 2018
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Gerardo Tauriello authored
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- Jul 02, 2018
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Gerardo Tauriello authored
- Jun 29, 2018
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Studer Gabriel authored
Hetatms are potentially skipped but if they come with an ANISOU record, ost expects them to be there. As a solution we simply increase the permissiveness as we already do it when having the calpha_only option active.
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- Jun 11, 2018
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Gerardo Tauriello authored
* Added actions interface including one action to compare structures (meant to replace use of molck/lddt-binaries and make QS-scoring accessible) * Added single chain lDDT scores using QS chain mapping and weighted average * Added penalties for extra chains (ref and mdl) for oligo lDDT scores
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Gerardo Tauriello authored
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Gerardo Tauriello authored
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