xyconv(1) General Commands Manual xyconv(1)NAME
xyconv - a converter of files in formats supported by xylib
SYNOPSIS
xyconv [options] input_file output_file
xyconv [options] [file]
DESCRIPTION
xyconv is a simple utility that converts files in formats supported by xylib into TSV (tab-separated-values) format.
Xylib library supports a subset of Vamas ISO14976 format, several formats used for storing data from powder diffraction (pdCIF, Bruker RAW
and UXD, Philips RD and UDF, Sietronics Sieray CPI) and other niche formats, typically containing 1D data from physical or chemical experi-
ments.
OPTIONS
For a full summary of options, run xyconv -h.
AUTHORS
Written by Marcin Wojdyr <wojdyr@gmail.com>.
Oct 2009 xyconv(1)
Check Out this Related Man Page
GCHEMPAINT(1) gnome-chemistry-utils GCHEMPAINT(1)NAME
gchempaint - 2D chemical structures editor for the GNOME2 desktop
SYNOPSIS
gchempaint [OPTIONS...] [FILE...]
DESCRIPTION
gchempaint is a 2D chemical structures editor for the GNOME2 desktop. It is a multi document application. You can read different file types
with gchempaint. E.g. chemical/x-cml, chemical/x-mdl-molfile, chemical/x-mdl-sdfile or chemical/x-pdb. But be aware, that you will maybe
loose 3D-data from these file-formats.
OPTIONS
Currently the following options are supported:
-e, --edit-residue
Open residues dialog.
-F, --full-screen
Open new windows full screen.
-M, --maximize
Open new window maximized.
-?, --help
Show application help options.
--help-all, --help-*
Print all or just a group of help options. These options are not documented here. Instead see gtk-options(7) and gnome-options(7).
-v, --version
Print gchempaint version information.
SEE ALSO gnome-options(7), gtk-options(7)AUTHORS
Jean Brefort <jean.brefort@normalesup.org>
Program author.
Daniel Leidert <daniel.leidert@wgdd.de>
Manpage author.
COPYRIGHT
Copyright (C) 2002-2007 Jean Brefort
Copyright (C) 2004-2007 Daniel Leidert
Permission is granted to copy, distribute and/or modify this document under the terms of the GNU General Public License, Version 2 or any
later version published by the Free Software Foundation.
gcu 0.12 $Date: 2010-04-26 11:32:26 +0200 (lun. 26 avril 2010) $ GCHEMPAINT(1)
I have a huge matrix file containing some 1.5 million rows and 6000 columns. The matrix looks something like this:
1 2 3
4 5 6
7 8 9
3 4 5
I want to add all the numbers in the columns of this matrix and display the result to my stdout. This means that the numbers in the first column are:
... (2 Replies)
Hi,
Just trying to get to grips with sed and awk for some reporting for work and I need some assistance:
I have a file that lists policy names on the first line and then on the second line whether the policy is active or not.
Policy Name: Policy1
Active: yes
Policy... (8 Replies)
version info :
vi availabe with RHEL 5.4
I have a text file with 10,000 lines. I want to copy lines from 5000th line to 7000th and redirect to a file. Any idea how I can do this?
Note:
The above scenario is just an example. In my actual requirement, the file has 14 million lines and I want... (9 Replies)
Hi everyone,
I know the following questions are noobish questions but I am asking them because I am confused about the basics of history behind UNIX and LINUX.
Ok onto business, my questions are-:
Was/Is UNIX ever an open source operating system ?
If UNIX was... (21 Replies)
Hello,
I couldn't find an actual introduction thread, so I decided to just put this here.
I go by d0wngrade online. I have been programming in multiple languages for about 15+ years. I started with standard web design languages like HTML and CSS, but I then advanced from design to development... (2 Replies)
Hi guys...
The first active code line in AudioScope.sh is set -u .
This causes a complete exit if a variable is used/found but has not been allocated at the start of the program.
However, apart from writing code to do the task, is there a switch to to check which variables have been... (17 Replies)
Hi.
In thread https://www.unix.com/shell-programming-and-scripting/267833-grouping-counting.html rovf and I had a mini-discussion on grep and awk.
Here is a demo script that compares the awk and grep approaches for this single problem:
#!/usr/bin/env bash
# @(#) s2 Demonstrate group... (1 Reply)
Hello,
I have to fish out some specific columns from a file based on the header value. I have the list of columns I need in a different file. I thought I could read in the list of headers I need,
# file with header names of required columns in required order
headers_file=$2
# read contents... (11 Replies)
For those interested in installing dash shell on OSX Lion to help test POSIX compliancy of shell scripts, it is quite easy. I did it like this:
If you don't have gcc on your system:
0. Download and install the Command Line Tools for Xcode package from Sign In - Apple *
1. Download the dash... (2 Replies)
Hello and thanks in advance for any help anyone can offer me
I'm trying to learn the find command and thought I was understanding it... Apparently I was wrong. I was doing compound searches and I started getting weird results with the -size test. I was trying to do a search on a 1G file owned by... (14 Replies)
I have data of an excel files as given below,
file1
org1_1 1 1 2.5 100
org1_2 1 2 5.5 98
org1_3 1 3 7.2 88
file2
org2_1 1 1 2.5 100
org2_2 1 2 5.5 56
org2_3 1 3 7.2 70
I have multiple excel files as above shown.
I have to copy column 1, column 4 and paste into a new excel file as... (26 Replies)
Dear All,
Taking a break from Vue.js coding for the site, SEO and YT videos; and hopefully addressing some well deserved criticism from some here that I have been too focused on the visual aspects of the forums versus the substance and the community....
While the "current generation... (9 Replies)
Hi all...
Well guys and gals, I jumped in at the deep end and found things that PERL cannot do by default.
Many tricky terminal escape codes are not catered for so I had to create workarounds.
One thing I searched for was this:
Passing perl variable to shell command
AND, @Neo this was... (15 Replies)