Vellieux Frederic
Thu, 04 Feb 2010 00:29:44 -0800
James Stroud wrote:
1. Gee, I thought that it was specified to be case sensitive.
2. Well, someone once told me that it was specified to be
case insensitive but I can't remember who that was.
3. I thought it was specified to be something too but
most programs largely ignore specifications in my experience.
4. Specifications are for sissies, real crystallographers
don't depend on them.
Hi James2 answers from me. Personal answer: 4. Practical answer: 5. And 5 is "Some programs do care about what's present in these columns, so I adapt and place there whatever is required by the program I am using".
Fred.PS And what I find really annoying is the atom type specified in columns 77-78, since the information is already present in the same line, as " CA", " N", "HG" etc. Sometimes I just forget to check what's present in these 2 columns and I have problems with some programs that refuse to run.