> i) Is there any guarantee that atoms are stored internally in > the same order that they appear in the PDB file?
set retain_order sort However, that's not really necessary: > ii) If so, is there any way to directly construct a selection > containing e.g. atoms 1,3,8,10,11... of a given object? select my_sel, my_object and id 1+3+8+10+11 > ... and of course any other comments or advice are most welcome! In addition to "id" there is a new operator "rank" (0.98beta+) which gives the literal order in the input source. "id" actually uses the PDB atom ids...which can be a problem with PDB files that don't have IDs. Cheers, Warren
