On 10/04/2013 03:55 PM, Geoffrey Hutchison wrote: > No, it’s the 2D depiction that’s limited to 1000 atoms (SVG and > PNG).
That's not quite what I'm seeing: I got the message from "-o smi". Neither "-o png" nor "-o svg" produced anything, it just sat here at 100% CPU. > If you have problems exporting a PDB as, say, XYZ please file a bug report and if possible post the file. http://www.rcsb.org/pdb/download/downloadFile.do?fileFormat=pdb&compression=NO&structureId=2MAL So is SMILES output supposed to handle > 1000 atoms and the fact that it doesn't is a bug? Thanks -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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