Beefy Boxes and Bandwidth Generously Provided by pair Networks RobOMonk
Syntactic Confectionery Delight
 
PerlMonks  

Re: Polar Co-Ordinates: Rotating a 3D cartesian point around a fixed axis?

by erix (Priest)
on Jul 02, 2012 at 13:45 UTC ( #979434=note: print w/ replies, xml ) Need Help??


in reply to Polar Co-Ordinates: Rotating a 3D cartesian point around a fixed axis?

Is your data PDB? It certainly looks like it (always useful to call things what they are). Perhaps Ivan Tubert-Brohman's Chemistry stuff on CPAN is useful: Chemistry::File::PDB.

I'm also wondering whether existing GIS software (postgis for postgresql comes to mind, or even plain vanilla postgresql geometric datatypes) might not already contain what you need, although admittedly it's probably a bit of a learning curve.


Comment on Re: Polar Co-Ordinates: Rotating a 3D cartesian point around a fixed axis?
Re^2: Polar Co-Ordinates: Rotating a 3D cartesian point around a fixed axis?
by BrowserUk (Pope) on Jul 02, 2012 at 15:26 UTC

    erix, with great respect for your habit of providing actual solutions, this falls short:

    Is your data PDB? ... Chemistry::File::PDB.

    At most that will allow the OP to read his data files.

    But then, the format is so simple that the relevant parts can be read using single lines of Perl code:

    ## Load line data my @linePts = map[ (split)[ 5,6,7 ] ], split "\n", <DATA>; # pp \@line +Pts; ## Load the "rotatable" points my @rotPts = map[ (split)[ 6,7,8 ] ], split "\n", <DATA>; # pp \@rotP +ts; ## Load the stop points. my @stopPts = map[ (split)[ 7,8,9 ] ], split "\n", <DATA>; # pp \@stop +Pts;
    I'm also wondering whether existing GIS software (postgis for postgresql comes to mind, or even plain vanilla postgresql geometric datatypes) might not already contain what you need, although admittedly it's probably a bit of a learning curve.

    To the best of my ability to discern (you weren't kidding about the learning curce), postgis only deals with 2D data which wouldn't help for this.


    With the rise and rise of 'Social' network sites: 'Computers are making people easier to use everyday'
    Examine what is said, not who speaks -- Silence betokens consent -- Love the truth but pardon error.
    "Science is about questioning the status quo. Questioning authority".
    In the absence of evidence, opinion is indistinguishable from prejudice.

    The start of some sanity?

      At most that will allow the OP to read his data files.

      Well, it was also meant for others, and as a hint to the OP. Whatever the precise question; it is useful to know if a widely used format is being discussed. Taking myself as example: to realise that this data is PDB (I had to look up the format at the PDB site) got *me* interested -- and perhaps I'll give it a try with postgres/postgis later on (I think there is actually quite a bit of 3d stuff available between them).

      The advantage would mainly be indexing, I think, so if a database approach can be made to work at all, it would mostly be useful if one wanted to look at many proteins.

Log In?
Username:
Password:

What's my password?
Create A New User
Node Status?
node history
Node Type: note [id://979434]
help
Chatterbox?
and the web crawler heard nothing...

How do I use this? | Other CB clients
Other Users?
Others cooling their heels in the Monastery: (4)
As of 2014-04-17 05:00 GMT
Sections?
Information?
Find Nodes?
Leftovers?
    Voting Booth?

    April first is:







    Results (439 votes), past polls