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How to find bond lengths from .cif files

I am confused about how to calculate the bond lengths within a given structure given its .cif file. I have highlighted the bond of interest in the image below. The atom coordinates are shown in the dialog box at the bottom of the screen. I used the formula for calculation of distance between two points […]

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Ask Chemistry

Why is H in OH group is more shielded than in H in CH2 group (ethanol NMR spectroscopy)?

I am confused with this $\mathrm{^1H}$–$\mathrm{NMR}$ spectroscopy result: Shouldn’t $\ce{H}$ in $\ce{OH}$ group the singlet be more towards the left of the $\mathrm{NMR}$ spectrum? It is near the highly electronegative atom $\ce{O}$ rather than the two $\ce{H}$ in $\ce{CH2}$ group they have a weak eletronegative atom $\ce{C}$ so it shouldn’t be that desheilded.

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Linux Mastering Development

Why inverted color changes to italic font in terminal

I ssh/mosh into two servers with the same settings (to my best knowledge). However, when the output is in inverted color (background color <=> front color) on server A, it’s shown as italic font on B. This happens to all built in command. For example, cal The current date shows in inverted color, but in […]

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Linux Mastering Development

How to define PATH? Without PATH errors

When I write in .bashrc: export PATH=\$PATH:\/usr/local/qc/OPENMPI_3_1_4/bin/ after a reboot, I get this error with any command line: david@doc1:~> less If ‘less’ is not a typo you can use command-not-found to lookup the package that contains it, like this: cnf less It only work with the complete path: /usr/bin/less How can I solve this problem?

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Linux Mastering Development

Alt Gr not working under antiX terminal

I have an antix installation which has this problem, when I’m trying to use Alt Gr + 2, the terminal just outputs the number 2, leaving me without the @ special character. This happens the same to the other special characters requiring Alt Gr or Ctl Alt. When I do a dpkg-reconfigure keyboard-configuration and restart […]

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Linux Mastering Development

Linux Mint 20 TTY 1-6 blinking cursor, GUI at tty7 works normally

I have a custom PC build (AMD Ryzen 3800x, ASUS TUF GAMING X570-PLUS mobo, Nvidia 1660 TI, 16GB ddr4 3200mhz RAM) running Linux Mint 20 (recently released), kernel 5.4.0-39-generic. While it works normally, the 1st TTY just has the LM splash screen spinning (like when it’s booting) and the TTYs 1 to 6 are black […]

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Linux Mastering Development

How can I find multiple files in multiple subdirectories?

I need to find a list of files in multiple subdirectories and save the path of each file in a txt file. I have all the filenames in a list in filenames.txt. I am trying to do this: while read -r fname; do find . -name "$fname" > paths.txt done < filenames.txt Is this correct? […]

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Linux Mastering Development

gnome desktop problem in kali linux (for one user) but okay for the rest of users

I recently installed GNOME-DESKTOP on Kali Linux I don’t know why it work so well with the root user and any other user but when I login with my user and choose gnome session , have the following problem Oh no! Something has gone wrong. A problem has occurred and the system can’t recover. Please […]

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Linux Mastering Development

For each line in file A replace all matching lines in file B with a pattern

fileA contains ~100k patterns fileB has ~100M lines Programs There are only two programs: replace a pattern with a single dot replace a pattern with dots of the same length Algorithm for each lineB in fileB do for each lineA in fileA do if lineA matches with lineB; then replace the match in lineB with […]

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Linux Mastering Development

Deleted system reserved partition, EFI partition, and can’t boot Ubuntu now

I had dual OS running on my system (the default was Windows 10, then I installed Ubuntu alongside Windows). With the intention of deleting Windows and keeping only Ubuntu, I logged in to my Ubuntu (chose Ubuntu from GRUB), used Gparted, and deleted ALL the partitions, except the following:- Partition containing linux installation Partition for […]