Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-14 Thread Peter Keller
On Thu, 2012-09-13 at 13:21 -0500, Jacob Keller wrote: Java anyone?! Your subject line asks about scripting languages. I would think that even the most inveterate Java advocate would hesitate before recommending Java for the kind of informal scripting that you were asking about :-) I've

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-14 Thread Edwin Pozharski
On 09/14/2012 12:30 AM, Eric Bennett wrote: Actually it's a bit of a hindrance. In Perl I can call the int function on anything and get a sensible answer. In python if you call int on a string that contains a floating point number the default behavior is that it will crash: The sensible

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-13 Thread William G. Scott
I'd just use a decent shell scripting language (like zsh) in conjunction with a unix tool like awk. But the gnuplot option sounds ideal. Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer Laboratories

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-13 Thread Soisson, Stephen M
] Off-topic: Best Scripting Language -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi James, I don't read blaming in George's words, just reasoning for a personal decision. Maybe I suffer from similar prejudice: I have the impression that python programmers spend a lot of effort in trying

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-13 Thread James Stroud
On Sep 13, 2012, at 3:24 AM, Tim Gruene wrote: I have the impression that python programmers spend a lot of effort in trying to convince others that python is a good choice. Why bother rather than let people make their own decision? Someone asked. Plus, python programmers put no more

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-13 Thread Patrick Shaw Stewart
Like most computer users and many scientists I don't write scripts to organize or analyse my data unless I get desperate. I've used both Python and Perl a few years ago, but it would take quite a lot of time and effort and staring at on-line tutorials to get back into either of them right now.

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-13 Thread Richard Gildea
In my opinion, the Python equivalent of your pseudo-code is fairly close to how you would write the instructions logically. But then maybe not everyone thinks in the same way that I do :-) for x in range(1, 10): if age_of_person(x) 50: print name_of_person(x), is an old man (or woman) Of

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-13 Thread James Stroud
On Sep 13, 2012, at 11:02 AM, Patrick Shaw Stewart wrote: Like most computer users and many scientists I don't write scripts to organize or analyse my data unless I get desperate. I've used both Python and Perl a few years ago, but it would take quite a lot of time and effort and staring

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-13 Thread Jacob Keller
It turns out that the syntax and semantics of all reasonable programming languages are very similar, or fall into only a few classes (e.g. C-like, S-expressions, etc.), so once you are fluent in one from a class, it's easy to pick up the others. This can't be said of natural languages, which

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-13 Thread Eric Williams
Another option that could be cheap or free (if your university offers license deals, as mine does) is SPSS. It has a lot of the quick and dirty spreadsheet functionality of Excel, is much faster than Excel with large tables, has lots of good analysis tools, has its own scripting language, and is

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-13 Thread Eric Bennett
On Sep 12, 2012, at 2:28 PM, Ethan Merritt wrote: Why are you dis-ing python? Seems everybody loves it... I'm sure you can google for many reasons I hate Python lists. Mine would start 1) sensitive to white space == fail 2) dynamic typing makes it nearly impossible to verify program

[ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Jacob Keller
Dear List, since this probably comes up a lot in manipulation of pdb/reflection files and so on, I was curious what people thought would be the best language for the following: I have some huge (100s MB) tables of tab-delimited data on which I would like to do some math (averaging, sigmas, simple

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Eric Williams
Try R. :) http://www.r-project.org/ Eric On Wed, Sep 12, 2012 at 10:32 AM, Jacob Keller j-kell...@fsm.northwestern.edu wrote: Dear List, since this probably comes up a lot in manipulation of pdb/reflection files and so on, I was curious what people thought would be the best language for

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread George M. Sheldrick
I always use FORTRAN for such tasks, especially if speed is important. George On 09/12/2012 04:32 PM, Jacob Keller wrote: Dear List, since this probably comes up a lot in manipulation of pdb/reflection files and so on, I was curious what people thought would be the best language for the

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread DUMAS Philippe (UDS)
Le Mercredi 12 Septembre 2012 16:40 CEST, George M. Sheldrick gshe...@shelx.uni-ac.gwdg.de a écrit: May I add a little personal joke to the serious remark by George. This remembers me a discussion I had with Jorge Navaza, let's say 15 years ago, about the programming language of the future.

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Pete Meyer
One thing to keep in mind is that there's usually a trade-off between setup (writing and testing) and execution time. For one-off data processing, I'd focus on implementation speed rather than execution speed (in other words, FORTRAN might not be ideal unless you're already fluent with it).

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Nat Echols
On Wed, Sep 12, 2012 at 7:32 AM, Jacob Keller j-kell...@fsm.northwestern.edu wrote: since this probably comes up a lot in manipulation of pdb/reflection files and so on, I was curious what people thought would be the best language for the following: I have some huge (100s MB) tables of

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Carter, Charlie
A similar remark was made to me by David Blow, while he was on sabbatical at UNC in the 1980s, working with the UNC Computer Science Department and in a moment of intense frustration with the overpowering ignorance of fortran and the enthusiasm for Unix exhibited by that department. Charlie

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Ethan Merritt
On Wednesday, September 12, 2012 07:32:54 am Jacob Keller wrote: Dear List, since this probably comes up a lot in manipulation of pdb/reflection files and so on, I was curious what people thought would be the best language for the following: I have some huge (100s MB) tables of tab-delimited

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Jacob Keller
For the specific purpose you list - input from tab-delimited data output to simple statisitical summaries and (I assume) plots - it sounds like gnuplot could do the job nicely. I wasn't aware that gnuplot can do calculations--can it? I was probably going to use it somewhere as a plotting

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Edwin Pozharski
All you need is scipy library to get those pesky statistic functions :) On 09/12/2012 11:11 AM, Pete Meyer wrote: Python's relatively easy to learn, and more flexible than octave/R; but it doesn't have the built-in statistic functions that octave and R do.

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Sabuj Pattanayek
Why are you dis-ing python? Seems everybody loves it... Depends on if you like the object model, some don't. In the end it really boils down to what you're used to and what you've learned to use.

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Soisson, Stephen M
- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Carter, Charlie Sent: Wednesday, September 12, 2012 11:17 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Off-topic: Best Scripting Language A similar remark was made to me by David Blow, while he was on sabbatical at UNC

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread James Stroud
On Sep 12, 2012, at 9:11 AM, Pete Meyer wrote: That said, I'd take a look at python, octave or R. Python's relatively easy to learn, and more flexible than octave/R; but it doesn't have the built-in statistic functions that octave and R do. import scipy Now it does!

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread George Sheldrick
It is the lack of compatibility between different versions mentioned by Ethan that really put me off learning PYTHON. In contrast, the FORTRAN-66 program SHELX76 still compiles and runs correctly with any modern FORTRAN compiler. The only significant 'new' features that I now use are dynamic

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread James Stroud
Python sorting 1 records of 1 floats for each record, finding the max, min, and mean of entire 100,000,000 32 bit float array (400 MB) on a 6 year old white imac. *11.6 seconds. *This doesn't include the time to generate the 400 MB of random (normal) data. Try it on your own

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Pavel Afonine
Hi, Python, of course (if you know some basic math). Otherwise, Python and a good math text book -:) Pavel On Wed, Sep 12, 2012 at 7:32 AM, Jacob Keller j-kell...@fsm.northwestern.edu wrote: Dear List, since this probably comes up a lot in manipulation of pdb/reflection files and so on, I

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread James Stroud
On Sep 12, 2012, at 1:00 PM, George Sheldrick wrote: It is the lack of compatibility between different versions mentioned by Ethan that really put me off learning PYTHON. Python is backwards compatible. I have reams of code I wrote in python 2.3 that still works in 2.7 without

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Edwin Pozharski
Ethan, I think majority of your complaints about python result from its very purpose - to be readable/portable for the sake of facilitating rapid implementation. There are many other languages that provide tools to accomplish what Jacob wants to do (well, I would stay away from P''), but

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Nat Echols
On Wed, Sep 12, 2012 at 12:49 PM, James Stroud xtald...@gmail.com wrote: Also, python (aka python 2) and python 3000 (aka python 3) are considered two different languages. It's not reasonable to consider them one language and then complain that they are incompatible. Python 3 was created as a

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread George Reeke
Colleagues: Another country is heard from: Since no one has mentioned MATLAB, let me mention it. --Can easily do any math from 2+2 to matrix SVD etc. --Statistics toolbox does most of what anyone would want. --Lots of easy quick graphics that can be prettied up if needed. --If you know FORTRAN,

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-12 Thread Ho Leung Ng
I encourage trainees to learn a programming language that they will help their careers beyond their short time in my lab. Many or most of them will not continue in structural biology or even science. For the moment, I am pushing python even though I am minimally literate in it myself. They