OK I did not want to go to much into details... So I want to use whose variables to write to the new text file e.g. out_PyMOL_angles_{$pdbid}.txt (which will be actually a PyMOL script to calculate structural properties in the protein e.g. angle between two helices) such as:
But with the above part I am fine.
I just need to set/assign all the values from the original .txt file into unique variables:
Dear all,
I am novice in C+= programing. I would like to seek help in one of the progra. Here it is, I have txt file which has the data as following order
varA varB
-21 0
-21.2 3, 4, 5, 6
-21.4 45, 65, 87, 98, 98
-22.0 345677, 349887, 98766, 877654, 987543
-23.0 76549,... (17 Replies)
I'm having trouble with a simple piece of code.
IFS=,
echo "1,2,3,4,5,6,7,8" | while read x y
do
echo "x=$x"
echo "y=$y"
done
I'm hoping for
x=1
y=2
x=3
y=4
.
.
.
but I'm getting
x=1 (3 Replies)
I have a file of lines with the following format:
AACCCGTAGATCCGAACTTGTG ACCCGTAGATCCGAACTTGTG CCGTAGATCCGAACTTGTG CGTAGATCCGAACTTGT I want to give a header to each line, using awk, where the header is equal to the line that follows, like this:
>AACCCGTAGATCCGAACTTGTG ... (2 Replies)
Hey everyone,
I have a bunch of lines with values in field 4 that I am interested in.
If these values are between 1 and 3 I want it to count all these values to all be counted together and then have the computer print out
LOW and the number of lines with those values in between 1 and 3,... (2 Replies)
I have a file containing multiple values, some of them are pipe separated which are to be read as separate values and some of them are single value all are these need to store in variables.
I need to read this file which is an input to my script
Config.txt
file name, first path, second... (7 Replies)
Looking for a little help here.
I have 1000's of text files within a multiple folders.
YYYY/
/MM
/1000's Files
Eg.
2014/01/1000 files
2014/02/1237 files
2014/03/1400 files
There are folders for each year and each month, and within each monthly folder there are... (4 Replies)
Hi,
I managed to read and print variable as shown in the below code.
table_name=table1,table2,table3
i=0
IFS=","
for i in $table_name
do
echo $i
done
Is there a way how I can read more than one variable. For example I need to read 2 variables and populate the output... (6 Replies)
Hello Gurus,
I have a multiple pipe separated files which have records going over multiple Lines. End of line separator is \n and records going over multiple lines have <CR> as separator. below is example from one file.
1|ABC DEF|100|10
2|PQ
RS
T|200|20
3| UVWXYZ|300|30
4| GHIJKL|400|40... (7 Replies)
I have requirement to split below file (sample.csv) into multiple files by using the unique columns (first 3 are unique columns)
sample.csv
123|22|56789|ABCDEF|12AB34|2019-07-10|2019-07-10|443.3400|1|1
123|12|5679|BCDEFG|34CD56|2019-07-10|2019-07-10|896.7200|1|2... (3 Replies)
Discussion started by: RVSP
3 Replies
LEARN ABOUT DEBIAN
tmalign
TMALIGN(1) General Commands Manual TMALIGN(1)NAME
TMalign - protein structure alignment
SYNOPSIS
TMalign structure.pdbtarget.pdb[options]
DESCRIPTION
TMalign performs a structural alignment of proteins. The alignment is scored by the TM-score algorithm.
OPTIONS
When started with no options, a summary of commands is given. With two protein structures presented as arguments, the TM-score uses the
length of the second protein to be normalised. The final structural alignment is invariant to any of the options below.
-L number normalises TM-score by an assigned length (in aa)
-a normalises TM-score by the average length of the two structures
-b normalises TM-score by the length of the shorter of the two structures
-c normalises TM-score by the length of the longer of the two structures
-o filename Run TM-align and output the superposition to 'filename.sup' and 'filename.sup_all'. The output files serve as scripts to
the program rasmol. To view the superimposed structures of the aligned regions call
'rasmol -script TM.sup' To view the superimposed structures of all regions
'rasmol -script TM.sup_all'.
SEE ALSO
http://zhang.bioinformatics.ku.edu/TM-align/, rasmol(1)
When using this proram and for more detailed information, please refer to the publication in NucleicAcidsRes. (2005) Volume 33 page
2303ff. by Zhang and Skolnick.
AUTHOR
tm-align was written by Zhang and Skolnick.
This manual page was written by Steffen Moeller <moeller@debian.org>, for the Debian project (but may be used by others).
October 21, 2007 TMALIGN(1)