Re: [AMBER] Howto cpptraj - multiple trajin-commands in one line

From: Chris Moth <cmoth08.gmail.com>
Date: Thu, 14 Jan 2016 10:43:09 -0600

This is very welcome news.

I had scanned the manual, as well as the
AmberTools/src/cpptraj/src/*.cpp for mention of regexp libraries or
boost:: etc - to no avail.

If this idea already exists, it should be very simple to wire in the
very powerful boost:: regular expression parser.

If you care to point me to the bit of code that expands the wildcard
currently, I'd welcome the chance to extend this.

Chris

On 01/14/2016 10:15 AM, Daniel Roe wrote:
> Hi,
>
> In addition to the good advice given by others, I did want to mention
> that cpptraj has some limited wildcard support.
>
> On Thu, Jan 14, 2016 at 5:25 AM, Falko Jähnert
> <falko.jaehnert.biochemtech.uni-halle.de> wrote:
>> Is there a way in cpptraj to call multiple files with one trajin command? (i.e.: trajin xxx1.mdcrd xxx2.mdcrd xxx3.mdcrd)
> The trajin and parm commands both understand file wildcards (*, ?), so
> assuming 'ls *_?.mdcrd' gives you the order you want you could do:
>
> trajin *_?.mdcrd
>
> Any other keywords you provide to 'trajin' (start, stop etc) will be
> applied to all files selected this way.
>
>> Alternative, is it possible to get those trajin commands in a single line? (i.e.: trajin xxx1.mdcrd; trajin xxx2.mdcrd; trajin xxx3.mdcrd)
> Not at this time.
>
> Hope this helps,
>
> -Dan
>
>> This will enforce the way I have to use for implementing the array filling function.
>>
>> Thanks in advance for your help! Hope, I didn't oversee these question in the Mailing Archive...
>> Falko.
>>
>>
>>
>>
>> _______________________________________________
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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>


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