Arha
Arha
1. Would be nice to harmonise British/American spelling: sometimes i see minimiSation, sometimes minimiZation Same with visualis/zation, modelling vs modeling; 2. Would be also nice to harmonise the Angstroms/angstroms. Guess...
Question about flexibility options. It is about explaining how to make molecule/part of molecule flexible/semi-flexible in haddokc3, only practical things, right? Or would you like to see a more theoretical...
maxwarn should come with a single ‘-‘, currently there’s two
precalculated results are un-capped, so it is not possible to merge trajectories with student’s capped runs
Aproximate schedule to show on the 1st day Monday: set up, familiarize with Linux Tuesday: Homology Wednesday-Friday: start MD production Monday-Tuesday: analyze MD run Wednesday: docking Thursday: analyse docking results...
Ask students to make haddock account on first Monday. Aks students to request guru on second Monday (they are sad they have to wait now)
Point to all the plots generated during clustering the trajecories - to help to pick 5 representatives out of all 10-15 clusters
Note: * sometimes peptide can stretch over the given dimention of a box. In this case, it’s size have to be inceased. * carefull with disordered part of MDM2 covering...
https://matt.might.net/articles/basic-unix/
Pay attention to SA of active residues predicted with ARCTIC-3D!