Visvaldas Kairys

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  • TRP interpreted as X (uknown)when converting to fasta format

    For ANY protein pdb files containing tryptophan (TRP), when converted to fasta format, TRP gets designated as X (unknown residue) instead of W, E.g. babel 1HVR.pdb 1HVR.fasta. This is for any pdb files, so I am not attaching anything. What worries me, is TRP recognized properly at all, or is it just an openbabel fasta conversion glitch?.

    2009-07-10 14:13:20 UTC in Open Babel

  • TRP interpreted as X (uknown)when converting to fasta format

    For ANY protein pdb files containing tryptophan (TRP), when converted to fasta format, TRP gets designated as X (unknown residue) instead of W, E.g. babel 1HVR.pdb 1HVR.fasta. This is for any pdb files, so I am not attaching anything. What worries me, is TRP recognized properly at all, or is it just an openbabel fasta conversion glitch?.

    2009-07-10 13:38:06 UTC in Open Babel

  • TRP interpreted as X (uknown)when converting to fasta format

    For ANY protein pdb files containing tryptophan (TRP), when converted to fasta format, TRP gets designated as X (unknown residue) instead of W, E.g. babel 1HVR.pdb 1HVR.fasta. This is for any pdb files, so I am not attaching anything. What worries me, is TRP recognized properly at all, or is it just an openbabel fasta conversion glitch?.

    2009-07-10 09:09:26 UTC in Open Babel

  • failure to launch in Kubuntu Intrepid, AMD64

    Avogadro used to work on KDE 3.5, but after transition to KDE4 Avogadro fails to launch with an error: avogadro: main/renderbuffer.c:2153: _mesa_reference_renderbuffer: Assertion `oldRb->Magic == 0xaabbccdd' failed. Abort I tried rebuilding from source, with the same result. I am using: AMD Athlon(tm) 64 Processor 3400+ cpu MHz : 2400.000 cache size : 512 KB...

    2008-11-12 13:31:28 UTC in Avogadro

  • Comment: building fails

    It seams that on some systems (I use Kubuntu Intrepid, AMD64) lrelease does not use options specified in makefiles. A way around this is the following: before doing make as you tried above, in the files build/libavogadro/src/CMakeFiles/avogadro-lib.dir/build.make build/avogadro/src/CMakeFiles/avogadro-app.dir/build.make find all lines with lrelease iin them and delete all options.

    2008-11-12 13:21:22 UTC in Avogadro

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