Thank you, it was really what I asked!
Em seg, 5 de ago de 2019 15:50, Christian "Cole" French <
christian.fre...@schrodinger.com> escreveu:
> select_with_filter allows you to make a selection as you would with the
> select command, so it supports all selection algebra including byres,
>
select_with_filter allows you to make a selection as you would with the
select command, so it supports all selection algebra including byres,
chain, organic, etc. Here's a modified example from the wiki:
# Select all residues within 5 Ang. of any organic small molecules whose
x-coordinate is at
Yes, one more question.
How to use all other "functions", like byres, "chain A" or "organic"?
Em seg, 5 de ago de 2019 12:36, Christian "Cole" French <
christian.fre...@schrodinger.com> escreveu:
> I see now. I updated the code at the link in my previous email to provide
> behavior which should
I see now. I updated the code at the link in my previous email to provide
behavior which should allow you to do what you want. Here are your examples
written using the command:
select_with_filter sele, flag 8, lambda s: len(cmd.get_chains(s)) < 2
select_with_filter sele, flag 8, lambda s:
I expressed myself wrong, I'm looking something like:
select peplength < 15 and chain A
Where peplength is an user defined function like:
def peplength(atom):
return compute_peplength(atom)
I'm looking for the availability of user defined functions on selection
expressions. How to?
Em
