BioJulia / BioStructures.jl

A Julia package to read, write and manipulate macromolecular structures
Other
93 stars 22 forks source link

export fixlists! #41

Closed shuuul closed 1 year ago

shuuul commented 1 year ago

I am doing structure modeling from images, so I need to manipulate the atoms and residues. Is it possible to export the fixlists! function, so I can update the atom_list after adding some atoms. OR are there other ways I can build a new protein structure using the current API?

jgreener64 commented 1 year ago

There isn't much in the current API for doing this. It's on the wish list but I won't have any time soon sadly.

You can call BioStructures.fixlists! to access that function though. It's not exported because it requires careful use, see the internals for examples.