What are the best easy and free software for protein computational chemistry with very good GUI?

More Shawkat M Islam's questions See All

What is the difference between L1 and L2 regularization in machine learning?

L1 and L2 regularization

28 February 2021 4,187 3 View

Can I put a figure that was drawn by Bio-Render in publication paper?

I want to publish paper in journal but I have figures which have drawn with bio-renders, can I put them in the paper or which other software I can use to draw them?

27 February 2021 8,179 1 View

How to simulate 5G Quality of Service characteristics?

For my research, I would like to simulate an end to end 5G network. My goal is to observe the behaviour of SDAP protocol, dynamic configuration of 5QI values etc. To summarize I would like to...

21 February 2021 7,624 3 View

What is the best substrate for exfoliating few layers of hexagonal boron nitride (hBN) using traditional scotch tape method?

Unlike graphene, it is usually very difficult to exfoliate few layers (~10 nm thick) of hBN on SiO2 substrate due to lip-lip interaction at the edges. Au substrates have been proven very useful...

16 February 2021 2,635 2 View

Which power-to-heat (P2H) devices do you think are likely to play the most crucial role in the European energy transition?

Power-to-heat (P2H) shows how we can use renewables for heating. Power-to-heat technologies have been on the market for quite some time now, with heat pumps being the most important. However, they...

10 February 2021 9,250 2 View

Why we use feature normalization before using the Gaussian kernel in SVM?

Support vector machine

09 February 2021 6,405 3 View

How is KNN different from k-means clustering?

machine learning

09 February 2021 8,757 9 View

What is bagging and boosting in Machine Learning?

machine learning

09 February 2021 5,156 3 View

Do the introduced salts (NaOH/ HCl) influence the spectroscopic shifts of the fluorescence excitation-emission matrix?

During the resin (XAD-8) fractionation of wastewater salts (NaOH or HaCl) are used for acid or base elutions/pH adjustments. Since the amount of introduced salt is minimal, so is it required to...

08 February 2021 9,489 2 View

Do you think it is feasible to have a 100% Renewable Energy-based Electricity System in Bangladesh in the distant future?

In Bangladesh, the proved reserved of natural gas 34 TCF which will lead the country next 20 years and currently 82% natural gas consumed in the power sector for power production. Whereas only 3%...

01 February 2021 251 12 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

Resistor definition in Piezoelectric bimorph with ANSYS workbench

Hello, good day! I am trying to simulate similar bimorph piezoelectric harvester with below commands. However, the output power doesn't change with resistor value. Please help to find the reason. ET,10,CIRCU94,0 !SET UP RESISTOR R,1,100000 !RESISTANCE VALUE TYPE,10 !SET ELEMENT TYPE E,1,2 !CREATE RESISTOR BETWEEN NODES 1 AND 2 Thanks in advance Regards,

02 March 2021 0 0 View

Why are the velocities so high in my Boussinesq approximation Fluent simulation?

Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...

02 March 2021 4,910 3 View

Yoshinobu Ishikawa

Hi,

I recommend UCSF Chimera:

https://www.cgl.ucsf.edu/chimera/

https://www.cgl.ucsf.edu/chimera/download.html

http://www.cgl.ucsf.edu/Outreach/Tutorials/GettingStarted.html

http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/frametut.html

http://nar.oxfordjournals.org/content/42/W1/W478

http://www.free-bit.org/course/2014-SriLanka/pdf/034-chimera_vina.pdf

David Cowburn

I agree. Chimera is far and away the most complete free resource.

Kalpana Pandey

I also agree that Chimera is good and user friendly software, you can also try pymol.