From: A. H. <ang...@ua...> - 2012-11-22 14:45:12
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Ciao Simone > I support this idea. Also, I remember reading somewhere that > selectionHalos is supposed to be set ON by default when a file is > loaded - which in my case actually does not happen when I load from > the scripting console. I don't think so. In my experience this has never been so, and it is a bad idea since upon loading ALL atoms are selected by default. > This works for me, however, only when I refer to those atoms by > using their 'label' names (e.g. O3, H1, C7 etc). In formats like mol this works. For pdb format, you need the bio specification, like *.OB or *.CA or 26SER.CA. > 'species array' notation - e.g. (_O)[1], (_Si)[4] - it is not > possible for me to select multiple atoms in this way I did not know about this notation, but I just tested and it works, at least in 13.0.8: $ load $caffeine $ select (_O)[1] 1 atoms selected $ select (_O)[1] or (_N)[2] 2 atoms selected $ select (_O)[1], (_N)[2] 2 atoms selected Ah, it's broken in 13.1.8 |