11 November 2014 3 7K Report

I am looking for a freeware program for Windows which can take simple input file formats like SMILES, PDB, MOL etc. to give a 2D chemical structure, instead of manually drawing the whole structure.

More Viswanath Pasumarthi's questions See All
What is the reason for obtaining spikes in the energy plot?

During equilibration of pure ionic liquid (TDTHP-DCA) system to estimate molar volume, self-diffusion constant etc, there are spikes arising in the energy plot. The spikes continued to exist even...

01 February 2015 6,242 12 View

Can a combination of different force field parameters be used for an MD simulation?

While performing an MD simulation using X force field potential energy functional form (CHARMM/AMBER/OPLS), is it necessary to use force field parameters corresponding to the same X force field?...

09 October 2014 9,849 7 View

What settings are recommended to analyze CO2 and H2 with TCD using Carbo Sieve S-II column?

CO2 is not being detected with N2 as carrier gas. Will Argon work to detect it? What are the flow rate and temperature settings recommended to the above analysis?

09 October 2013 6,532 1 View

What is the purpose of ramping while performing GC?

I'm learning GC recently and came across many analyses performing ramping instead of providing a constant temperature right from the start. What is the purpose and advantage of ramping while...

09 October 2013 8,422 5 View

What care needs to be taken when measuring currents in the order of microamperes?

Will the connection resistances influence the magnitude of the current? What instruments may be used for the purpose of measuring and recording microcurrents?

08 September 2013 8,583 2 View

How can the remanence of magnetic nanoparticles be controlled?

I want to improve the remanence of magnetic nanoparticles. What are the parameters that influence remanence?

08 September 2013 9,846 4 View

Can someone suggest a viscous non-polar solvent?

I need a list of non-polar solvents as well as their viscosity data. Where can I find it? You can even suggest a textbook for reference.

07 August 2013 5,626 14 View

What kinds of gel can be used to maintain a concentration gradient for longer times?

I wanted to maintain a steady concentration gradient of a solvent in a solution. Silica gel is breaking up quickly in minutes. What kind of gel can be used to maintain this gradient over longer...

07 August 2013 3,289 1 View

How can I capture video from optical microscope's eyepiece?

I've been observing my liquid sample under optical microscope and found the digital picture shown in the computer as obscure and less in quality from the actual picture seen through the eyepiece....

07 August 2013 4,882 4 View

What kind of tracer particles can be used to study flow characteristics in water?

The flow patterns in water are visually obscure to study. I'm looking for small, inert, affordable tracer particles to observe under a camera.

07 August 2013 6,060 6 View

Similar questions and discussions
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

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

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

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

what is the simplest definition of ion exchange capacity

What this unit identifies for the ion exchange capacity ca. 0.92 meq. g-1. I am a newcomer in the membrane area. I just started. I highly appreciate your help

08 May 2021 0 0 View

what is the simplest definition of ion exchange capacity

What this unit identifies for the ion exchange capacity ca. 0.92 meq. g-1. I am a newcomer in the membrane area. I just started. I highly appreciate your help

08 May 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

Our partners will collect data and use cookies for ad personalization and measurement. Learn how we and our ad partner Google, collect and use data. Agree & close