- Jul 20, 2018
-
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
Rafal Gumienny authored
-
- Jul 19, 2018
-
-
Rafal Gumienny authored
-
- Jul 18, 2018
-
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
- Jul 10, 2018
-
-
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...
-
- Jul 06, 2018
-
-
Gerardo Tauriello authored
-
- Jul 02, 2018
-
-
Gerardo Tauriello authored
- Jun 29, 2018
-
-
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.
-
- Jun 11, 2018
-
-
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
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
- Jun 05, 2018
-
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
- Jun 04, 2018
-
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
Combination of reference_existing_object and RemoveChain can lead to segfaults. Overhead of change is 1us per call for a test case with 18 chains. Hence it is absolutely negligible.
-
- May 25, 2018
-
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
Studer Gabriel authored
- May 23, 2018
-
-
Gerardo Tauriello authored
-
- Apr 27, 2018
-
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
Rafal Gumienny authored
-
Rafal Gumienny authored
- Apr 26, 2018
-
-
Gerardo Tauriello authored
-
Gerardo Tauriello authored
-
Rafal Gumienny authored
-
Rafal Gumienny authored
-