Re: Alternative conformation skipped

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>
>
> 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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<div dir=3D"ltr"><div class=3D"gmail_quote gmail_quote_container"><blockquo=
te class=3D"gmail_quote" style=3D"margin:0px 0px 0px 0.8ex;border-left:1px =
solid rgb(204,204,204);padding-left:1ex"><br>Thanks, it&#39;s working but w=
e have some concerns because the alt locs property refers to an atom proper=
ty and we cannot understand why you decided to associate=C2=A0 this propert=
y to a group of atoms.<br></blockquote><div><br></div><div>I understand the=
 confusion. It is how things were designed in BioJava a long time ago. In a=
ny case data standards for alt locs are not very well specified. Different =
depositors can use alt locs in different ways.</div><div>=C2=A0</div><block=
quote class=3D"gmail_quote" style=3D"margin:0px 0px 0px 0.8ex;border-left:1=
px solid rgb(204,204,204);padding-left:1ex">
<br>
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?<br></blockquote><div><br></div><div>I think you can identify and =
get the alternative conformation for one atom only with code similar to wha=
t I shared, right? Could you elaborate what your problem is, or share some =
code?</div><div><br></div><div>Jose</div></div></div>

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