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Revision as of 17:26, 25 June 2009

2,171 bytes removed ,  25 June 2009
get rid of sortlattices alias
(adjust scalefactors alias to latest XDS version)
(get rid of sortlattices alias)
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Here are two one-liners for your .cshrc (FIXME: or should these lines go into .login or .profile?) :
Here is a one-liner for your .cshrc :


alias sortlattices "egrep '^    ..        [aomhtc]' IDXREF.LP | sort -k3n | head -12"
  alias scalefactors "egrep ' .....  0 ...... ........  ..  .....    ....  ...  ......  ......' INTEGRATE.LP"
  alias scalefactors "egrep ' .....  0 ...... ........  ..  .....    ....  ...  ......  ......' INTEGRATE.LP"


In sh/bash/ksh/zsh syntax this would be:
In sh/bash/ksh/zsh syntax this would be:


alias sortlattices='egrep "^    ..        [aomhtc]" IDXREF.LP | sort -k3n | head -12'
  alias scalefactors='egrep " .....  0 ...... ........  ..  .....    ....  ...  ......  ......" INTEGRATE.LP'
  alias scalefactors='egrep " .....  0 ...... ........  ..  .....    ....  ...  ......  ......" INTEGRATE.LP'


which could go into ~/.bashrc or something similar. There are many possibilities - best thing might be to search for the file that already contains alias commands:
which could go into ~/.bashrc (or should it go into .login or .profile?)


grep -l "alias " ~/.[a-z]*
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For the not-so-Unix-proficient-ones: ''sortlattices'' runs on IDXREF.LP the following commands:
# grep (for finding lines that are non-blank at two positions and have one out of the characters 'aomtc' later in the line)
# sorts these lines on the third column, numerically, ascending
# and prints the first 12 of these to the terminal
Example:
dikay@turn29:-data/temp% sortlattices
    44        aP          0.0    145.8  164.1  245.4  90.1  90.0  90.1  -1  0  0  0  0  1  0  0  0  0 -1  0
    31        aP          0.3    145.8  164.1  245.4  89.9  90.0  89.9    1  0  0  0  0  1  0  0  0  0  1  0
    35        mP          0.9    164.1  145.8  245.4  90.0  90.1  90.1    0 -1  0  0  1  0  0  0  0  0  1  0
    34        mP          2.2    145.8  245.4  164.1  90.1  90.1  90.0    1  0  0  0  0  0  1  0  0 -1  0  0
    33        mP          2.5    145.8  164.1  245.4  90.1  90.0  90.1  -1  0  0  0  0  1  0  0  0  0 -1  0
    32        oP          2.8    145.8  164.1  245.4  90.1  90.0  90.1  -1  0  0  0  0  1  0  0  0  0 -1  0
    14        mC        135.2    219.4  219.6  245.4  90.1  90.1  83.2  -1  1  0  0  1  1  0  0  0  0 -1  0
    10        mC        135.8    219.4  219.6  245.4  89.9  90.1  96.8    1 -1  0  0  1  1  0  0  0  0  1  0
    13        oC        135.8    219.4  219.6  245.4  90.1  90.1  83.2  -1  1  0  0  1  1  0  0  0  0 -1  0
    11        tP        136.4    145.8  164.1  245.4  90.1  90.0  90.1  -1  0  0  0  0  1  0  0  0  0 -1  0
    39        mC        249.7    359.0  145.8  245.4  90.0  90.1  66.1    1 -2  0  0  1  0  0  0  0  0  1  0
    37        mC        250.3    511.9  145.8  164.1  90.1  90.1  73.5  -1  0 -2  0 -1  0  0  0  0  1  0  0
(read [[Space_group_determination|Space group determination]] to find out what to do with these lines)
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Kay
Bureaucrats
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