I am using OSX. I have a multi-mol2 file (text file with coordinates and info for several molecules). An example of two molecules in the file is given below for molecule1 and molecule 2. The total file contains >50,000 molecules.
I would like to extract out and write to another file only the molecules that have a Grid Score < -30.0000. For the case below, it should only write for molecule1 (Grid Score = -43.6), but not molecule2 (Grid Score = -13.6).
Looking through the forum, I realized I need to do a paragraph grep or something analogous. The best I could determine is that I could use the awk command. But, I have no idea how to put in the condition for Grid Score < -30.
This is my first post, and I am very much an amateur. Any help to get me going in the right direction would be greatly appreciated. Forgive me if my post is not formatted correctly. Happy to take any criticism. Thanks.
Hi,
I'm trying to find pattern in log file. I'm using awk to search the pattern and print the paragraph. And it's not working well like I want.
The file actually is TCAP message, it has format like this :
...
...
...
*****************************************
INCOMING TCAP MESSAGE
At... (6 Replies)
Hi ,
Unix.com has been life saver for me I admit :)
I am trying to extract a paragraph based on matching pattern "CREATE TABLE " from a ddl file . The paragraphs are seperated by blank line .
Input file is
#cat zip.20080604.sql1
CONNECT TO TST103
SET SESSION_USER OPSDM002
... (2 Replies)
Hi,
Consider the following paragraph.
This is line1.
This is line2,
This is last line.
I need the output as
4:This is last line.
i.e The line after the blank line should be displayed along with line number.
I am a unix begineer.Any one please help me to solve this problem (3 Replies)
Hi,
I have read similar questions and I was not able to get a solution, so please help :)
I have two files:
1-Pattern file contains list of patterns
pattern1
pattern2
pattern3
pattern4
....
pattern#
2-input file in the format
>hdhfshsdfjhpattern1xmbxmbxnmv... (4 Replies)
Hi, I'm trying to output all text from the first paragraph in a file that contains a specific string through the last paragraph in that file that contains that string.
Previously, I was outputting just each paragraph with that search string with:
cat in_file | nawk '{RS=""; FS="\n";... (2 Replies)
Hi all,
The following lines are taken from a long paragraph:
Labels of output orbitals: RY* RY* RY* RY* RY* RY*
1\1\GINC-COMPUTE-1-3\SP\UB3LYP\6-31G\C2H5Cr1O1(1+,5)\LIUZHEN\19-Jan-20
10\0\\# ub3lyp/6-31G pop=(nbo,savenbo) gfprint\\E101GECP\\1,5\O,0,-1.7
... (1 Reply)
I know this is a challenging, its about comparing a 3 paragraph, from a whois command, i want to print what is the data that is not unique, example below is the admin phone and techphone, the rest is the same.it will print the correct and wrong
# whois google.com| sed -n '/Registry Registrant... (3 Replies)
Hello:
Have a very annoying problem:
Need to extract paragraphs with a specific string in them from a very large file
with a repeating record separator.
Example data: a file called test.out
CREATE VIEW view1
AS something
FROM table1 ,table2 as A, table3 (something FROM table4)
FROM... (15 Replies)
Hi,
Its been a long time since I have used Bash to write a script so am really struggling here. Need the gurus to help me out.
uname -a
Linux lxserv01 2.6.18-417.el5
i have a text file with blocks of code written in a similar manner
******* BEGIN MESSAGE *******
Station /... (12 Replies)
Discussion started by: dsid
12 Replies
LEARN ABOUT OSX
locale::maketext::extract::plugin::perl
Locale::Maketext::Extract::Plugin::Perl(3) User Contributed Perl Documentation Locale::Maketext::Extract::Plugin::Perl(3)NAME
Locale::Maketext::Extract::Plugin::Perl - Perl format parser
SYNOPSIS
$plugin = Locale::Maketext::Extract::Plugin::Perl->new(
$lexicon # A Locale::Maketext::Extract object
@file_types # Optionally specify a list of recognised file types
)
$plugin->extract($filename,$filecontents);
DESCRIPTION
Extracts strings to localise (including HEREDOCS and concatenated strings) from Perl code.
This Perl parser is very fast and very good, but not perfect - it does make mistakes. The PPI parser
(Locale::Maketext::Extract::Plugin::PPI) is more accurate, but a lot slower, and so is not enabled by default.
SHORT PLUGIN NAME
perl
VALID FORMATS
Valid localization function names are:
translate
maketext
gettext
loc
x
_
__
KNOWN FILE TYPES
.pm
.pl
.cgi
SEE ALSO
xgettext.pl
for extracting translatable strings from common template systems and perl source files.
Locale::Maketext::Lexicon
Locale::Maketext::Extract::Plugin::Base
Locale::Maketext::Extract::Plugin::PPI
Locale::Maketext::Extract::Plugin::FormFu
Locale::Maketext::Extract::Plugin::TT2
Locale::Maketext::Extract::Plugin::YAML
Locale::Maketext::Extract::Plugin::Mason
Locale::Maketext::Extract::Plugin::TextTemplate
Locale::Maketext::Extract::Plugin::Generic
AUTHORS
Audrey Tang <cpan@audreyt.org>
COPYRIGHT
Copyright 2002-2008 by Audrey Tang <cpan@audreyt.org>.
This software is released under the MIT license cited below.
The "MIT" License
Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the
"Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish,
distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to
the following conditions:
The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY
CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE
SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
perl v5.16.2 2010-08-10 Locale::Maketext::Extract::Plugin::Perl(3)