how to give dammin the initial start pdb in Command-Line

Ab initio modelling: DAMMIF, DAMMIN, GASBOR, MONSA
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niuxg
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how to give dammin the initial start pdb in Command-Line

#1 Post by niuxg » 2015.09.19 09:56

Hello,

I have generate a start model with dammif, and want to use dammin to do final refinement with this model. I want run dammin in parallel on my lab's cluster server. But one problem is how to tell dammin the initial start pdb in command-line arguments. In the online manual, there is no option for this. Does it mean that when you have a start pdb, you must run dammin in interactive mode?

Thanks!

Xiaogang

franke
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Re: how to give dammin the initial start pdb in Command-Line

#2 Post by franke » 2015.09.19 11:22

niuxg wrote:Does it mean that when you have a start pdb, you must run dammin in interactive mode?
Exactly that. But you can use input redirection:

Code: Select all

$ dammin < input.txt
where input.txt contains the entries, one per line, that you'd give on the command line.

niuxg
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Re: how to give dammin the initial start pdb in Command-Line

#3 Post by niuxg » 2015.09.21 05:29

franke wrote:
niuxg wrote:Does it mean that when you have a start pdb, you must run dammin in interactive mode?
Exactly that. But you can use input redirection:

Code: Select all

$ dammin < input.txt
where input.txt contains the entries, one per line, that you'd give on the command line.
That works, thanks a lot!

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