Hi,
I am trying to get the NCS matrix from the 'get_ncs_indices.inp'. But, i have gaps in my structure which means i have to select the entire molecule in several parts as the reference and also in case of NCS related molecule. Now, i tried to give the selection as follows :
'segid A and resid 9:69
I am trying to get the NCS matrix from the 'get_ncs_indices.inp'. But, i have gaps in my structure which means i have to select the entire molecule in several parts as the reference and also in case of NCS related molecule. Now, i tried to give the selection as follows :
'segid A and resid 9:69
and segid A and resid 146:236
and segid A and resid 246:276'
Both in reference molecule and NCS related parts (where is is B,C or D instead of A).
Both in reference molecule and NCS related parts (where is is B,C or D instead of A).
Now, if i run this input file then i get an empty .list file.
So, i was wondering if i have to define the selection differently.
It would be nice if anybody can give me some ideas.
Regards, Azmiri
