Re: [COOT] symmetry related molecules

2015-05-18 Thread Eleanor Dodson
No idea why this is happening to you, but before analysing symmetry stuff it sometimes helps ro use PISA to generate the best assembly for your 2 molecules in the asymmetric unit. All the symmetry search things only use a limited number of unit cell translations Eleanor On 18 May 2015 at 05:45,

Re: [COOT] Default B-factor for new residues

2015-05-18 Thread Oliver Clarke
In the meantime, adding something like this to whatever custom python extensions file you use seems to do the trick: def set_new_atom_b_fac_to_mean(): mol_id=active_residue()[0] mean_b=average_temperature_factor(mol_id) set_default_temperature_factor_for_new_atoms(mean_b)

Re: [COOT] symmetry related molecules

2015-05-18 Thread Joel Tyndall
Hi folks, Thanks to all who responded, the workaround appears that you can add a command (in windows) using: Calculate Scripting python and run set_symmetry_shift_search_size(2) Then when you generate the symmetry related molecules they are all there. Whilst it doesn't solve the problem