Re: [Open Babel] erroneous structures when the option "-p" is activated

2012-08-30 Thread Douglas Houston
Thanks Paolo, Unfortunately the behaviour I described persists with SVN 4995. cheers, Doug Quoting Paolo Tosco on Thu, 30 Aug 2012 11:48:51 +0200: > Dear Douglas, > > did you try to use the SVN version? I myself submitted a number of > fixes to the pdbqt format module which might solve yo

Re: [Open Babel] erroneous structures when the option "-p" is activated

2012-08-30 Thread Douglas Houston
Hi, I don't know if this is related, but I've found another example of what appears to be an "erroneous structure" with the -p option in 2.3.1. I noticed it when converting to PDBQT format, but there's also a problem when I convert to PDB. The files in question are attached. babel -isdf i