[cctbxbb] Quick start info?

[esserlo at helix.nih.gov]

Dear Dr. Echols,

 thanks for the fast reply. So I will study the documentation that is there
more carefully and look at the examples in each section.
And yes, I downloaded the latest official release for CentOS 5.5 and it runs
as far as I can tell just fine under CentOS 6.2

Best regards,

   Lothar

> On Sat, Sep 8, 2012 at 3:57 PM,  <esserlo at helix.nih.gov> wrote:
>>   this is a question about how to get started quickly. I have looked at the
>> sourceforge site for cctbx and read diverse documents but so far I have not
>> found documentation that would help me get started fast. I have a
>> crystallographic problem which I can probably program from scratch but then
>> again why bother if there is a crystallographic tool box around. But well
>> despite all the power in it getting it to work seems a bit daunting. Are
>> there really good examples? I did get the "sand box quartz model" script to
>> work but this is still far off of what I want to do.
>
> Sadly, the lack of documentation (introductory or otherwise) is one of
> the biggest holes in CCTBX right now.  Fixing this is a long-term
> project; I've started writing a newsletter article that would cover
> the basic concepts, but this is going to take a while (and it's really
> going to need to be at least two articles to properly cover
> macromolecular applications).  We will also need to add proper
> documentation to the code.  The problem, as always, is that writing
> documentation competes with writing software, and we're already behind
> on writing user documentation for Phenix.
>
> Right now you basically have to learn from context, i.e. by inspecting
> the code.  The best places to look for hints on proper usage are in
> the "examples" subdirectories of each top-level model (cctbx, iotbx,
> mmtbx, etc.), and the "command_line" subdirectories.  If you can give
> us some idea what you're trying to do (feel free to email me off-list
> if you prefer), we can point you to specific scripts.
>
> (A more specific comment on setting up the toolbox: to get to the
> point of writing code as quickly as possible, it's easiest to just
> download one of the binary bundles, or even a Phenix installer, and
> run "cctbx.python" from there.  But it sounds like you've already made
> it past this point.)
>
> -Nat
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