Re: How to find Pubmed ID
Jose Duarte <[email protected]> Wed, 29 May 2024 10:22:44 -0700
| Newsgroups | gmane.comp.java.bio.general |
|---|---|
| Message-ID | <CAHhO=JEPtLv1DAnznd5uRaCKJjWDMB5BO4HyCb5i=TWYszu6JA@mail.gmail.com> |
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>
> Is there a way to loop over _atom_site entries?
>
The README contains an example of getting the AtomSite object. From there
you can loop with a stream, e.g.
AtomSite atomSite = data.getAtomSite();
FloatColumn xCoord = atomSite.getCartnX();
xCoord.values().forEach(<do somethin here>);
Of course you can also parse into a BioJava Structure object which will
read all coordinates, atom names etc. See the tutorial:
https://github.com/biojava/biojava-tutorial/blob/master/structure/mmcif.md
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<div dir=3D"ltr"><div dir=3D"ltr"><br></div><div class=3D"gmail_quote"><blo=
ckquote class=3D"gmail_quote" style=3D"margin:0px 0px 0px 0.8ex;border-left=
:1px solid rgb(204,204,204);padding-left:1ex">
<br>
Is there a way to loop over _atom_site entries?<br></blockquote><div><br></=
div><div>The README contains an example of getting the AtomSite object. Fro=
m there you can loop with a stream, e.g.</div><div><br></div><div>=C2=A0 =
=C2=A0 =C2=A0 =C2=A0 AtomSite atomSite =3D data.getAtomSite();<br>=C2=A0 =
=C2=A0 =C2=A0 =C2=A0 FloatColumn xCoord =3D atomSite.getCartnX();<br>=C2=A0=
=C2=A0 =C2=A0 =C2=A0 xCoord.values().forEach(<do somethin here>);=C2=
=A0</div><div><br></div><div>Of course you can also parse into a BioJava St=
ructure object which will read all coordinates, atom names etc. See the tut=
orial:=C2=A0</div><div><br></div><div><a href=3D"https://github.com/biojava=
/biojava-tutorial/blob/master/structure/mmcif.md">https://github.com/biojav=
a/biojava-tutorial/blob/master/structure/mmcif.md</a><br></div><div><br></d=
iv><div><br></div></div></div>
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