[Biojava-l] Alternative conformation skipped

Jose Duarte jose.duarte at rcsb.org
Mon May 19 16:43:22 EDT 2025


>
>
> Thanks, it's working but we have some concerns because the alt locs
> property refers to an atom property and we cannot understand why you
> decided to associate  this property to a group of atoms.
>

I understand the confusion. It is how things were designed in BioJava a
long time ago. In any case data standards for alt locs are not very well
specified. Different depositors can use alt locs in different ways.


>
> For instance, in the pdb 4KL8 the alternative conformation is reported for
> the FCO group, how can I identify just the alternative conformation of the
> iron ion?
>

I think you can identify and get the alternative conformation for one atom
only with code similar to what I shared, right? Could you elaborate what
your problem is, or share some code?

Jose
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