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From: Robert H. <ha...@st...> - 2015-01-29 21:21:29
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My point was that you can easily create a CIF with Perl or anything else that Jmol will parse *for the information in the ATOM/HETATM/CONECT lines*, which is what it sounded like you were saying. You did not refer to specific REMARK records. Some of those are more involved. Basically you just add a couple of single-character columns to keep values separate, define your _loop keys, and you are done. What do you really want to do - exactly? Which records do you need? Is this your real question? *I am looking for a replacement for the mmCIF format that offers all of the information that Jmol can read from mmCIF files, but isn't mmCIF.* Bob |