[Chimera-users] "match" command with serialNumber specifier

Hiroyuki ISOBE isobe at m.tohoku.ac.jp
Tue Aug 5 18:25:43 PDT 2014


Dear Sir:
I find the solution but have another question on the option syntax.
The correct command was
match #1@/serialNumber=14 #0@/serialNumber=74 #1@/serialNumber=91 #0@/serialNumber=31 #1@/serialNumber=31 #0@/serialNumber=91 #1@/serialNumber=74 #0@/serialNumber=14 

Now I want to insert “iterate” option with this command.

The following command did not work
match #1@/serialNumber=14 #0@/serialNumber=74 #1@/serialNumber=91 #0@/serialNumber=31 #1@/serialNumber=31 #0@/serialNumber=91 #1@/serialNumber=74 #0@/serialNumber=14 | iterate 0.01

Could you tell me what is wrong with this line?

Thank you for your help in advance.
Sincerely,
Hiroyuki

--
Hiroyuki ISOBE
Advanced Institute for Materials Research (WPI-AIMR)
Department of Chemistry
Tohoku University
Sendai, 980-8578, Japan
Tel: +81-(0)22-795-6585
Fax: +81-(0)22-795-6589
Email: isobe at m.tohoku.ac.jp
Homepage: http://www.orgchem2.chem.tohoku.ac.jp

On 2014/08/06, at 9:28, Hiroyuki ISOBE <isobe at m.tohoku.ac.jp> wrote:

> Dear Sir:
> I would like to run “match” with two models by using serialNumber specifiers
> but fail to specify multiple atoms.
> 
> I would like to match the following sets of atoms:
> SerialNumber=14,31,91,74 for model #0
> and
> SerialNumber=74,91,31,14 for model #1
> 
> How should I include multiple atoms in the command line?
> 
> The command for one atom,
> match #1/serialNumber=14 #0/serialNumber=74
> works nicely, but I cannot include, for instance, two atoms with
> match #1/serialNumber=14,31 #0/serialNumber=74,91
> or
> match #1/serialNumber=14 31 #0/serialNumber=74 91
> 
> 
> Could you please let me know the correct commands for this purpose?
> 
> Thank you for your kind help in advance.
> 
> Sincerely,
> Hiroyuki
> 
> 
> --
> Hiroyuki ISOBE
> Advanced Institute for Materials Research (WPI-AIMR)
> Department of Chemistry
> Tohoku University
> Sendai, 980-8578, Japan
> Tel: +81-(0)22-795-6585
> Fax: +81-(0)22-795-6589
> Email: isobe at m.tohoku.ac.jp
> Homepage: http://www.orgchem2.chem.tohoku.ac.jp
> 




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