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#225 protein failes if *.O is called *.O1
in 4thn
http://www.imb-jena.de/cgi-bin/SCOPlnk.exe?JMOL=4thn
the unusual amino acides are not recognized as protein,
because *.O is called *.O1
with 1amt (an other [AIB] containing structure) there is a
java.lang.ArrayIndexOutOfBoundsException: 1
at
org.openscience.jmol.viewer.datamodel.AlphaPolymer.extendRuns(AlphaPolymer.java:184)
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Jan,
Are you just talking about the AIB groups 22 & 23 ?
Do you think that we should allow O1 as an acceptable atom
name for the carbonyl oxygen?
If we make this change, do you think that it will cause
other problems?
Miguel
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The names O and O1 are both acceptable now
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with 4thn there are besides of ABI and DGL further amino
acids, which are currently not detected as part of the
protein set:
CHG CYCLOHEXYL-GLYCINE
HAC BETA-CYCLOHEXYL-ALANINE
NAL BETA-(2-NAPHTHYL)-ALANINE
these didn't contain *.CA named C-alpha atoms.
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How do you propose that this be handled?