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A day has only 24 hours for me, and about 1000 hours for my computer(s). That makes me the limiting factor. Nevertheless, if you want a Lists database to be designed for you, then feel free to ask. If WHAT IF can do the calculation for one single file, then making that option into a Lists entry is not overly much work. And it won't even cost you a co-authorship; just a beer the next time we meet at a conference... |
It is also possible to combine the infor from multiple Lists into one Lists. E.g. I could add hydrogenbond information to the salt bridge Lists, or combine cysteine bridges with cysteine-metal contact info.
The limitations are only your imagination, and whether WHAT IF can do it already for a single file.
WHAT IF is at (way beyond) the end of its life-cycle. Nevertheless, if you are a FORTRAN programmer, and not afraid, you can get your own copy, with source and everything. If, however, you just want to use some of the WHAT IF options on your in-house molecular projects, I suggest you get YASARA. YASARA is, in my opinion, the best macromolecular visualizer available on the market, and it is cheap (and the free version YASARA_View still has 95+ % of all WHAT IF operationality included).
Many people have been listed throughout these pages. Many people have contributed to the results, to the article, and to my sanity in a hostile world. But at the end, I alone am responsible...
May the force be with you,
Gert Vriend vriendgert@gmail.com.
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