How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View

How can I find a Raman spectrum wavenumber corresponding to what compound?

I have several Raman spectra with very distinct peaks at certain wavenumbers, such as 277, 359, 466, 583, 623, 686, and 795cm-1. How can I identify them to what compound(s)? The RRUFF and others...

24 February 2021 363 3 View

How to prepare a thin polymer film by post-polymerization/crosslinking?

24 February 2021 2,362 5 View

Is there a suitable way to confine cell attachment area inside a multi-well plate?

Are there any types of cylindrical cell culture inserts that are designed to confine cell seeding area? Say, if I'm using a 12 well plate (3.5 cm^2/well), but only want to seed cells in the middle...

22 February 2021 7,127 4 View

Mixed ANOVA or Multilevel modeling?

Hi everyone, I'm having some questions about choosing the right test for my experiment and I hope I can find help here! Here are the settings of the experiment: 1. participants are randomly...

14 February 2021 1,028 4 View

NVT or NPT is preferable for gas adsorption simulation ?

Hi there, In order to perform molecule dynamic simulation on gas adsorption on substrate materials, NVT or NPT ensemble is preferable ? Thanks!

08 February 2021 173 1 View

How to compare two group with small sample size (n=3)?

I am working on some physiological traits of plant to which its expensive to raise the sample size beyond n=3. so kindly suggest some test which is applicable to test such group(2)

04 February 2021 461 11 View

How to do variation partition for a distance matrix for microbial ecology?

I have bacterial, fungal, and protist OTU table. I want to know to what extent protist and fungi distribution can explain the bacteria distribution. I only know Mantel test could do a correlation...

11 January 2021 4,164 2 View

Option "cutoff-scheme" not recognized by Gromacs 4.6.5?

Hi, I got the following error message while running parallelized simulations with OpenMP: OpenMP threads have been requested with cut-off scheme Group, but these are only supported with cut-off...

02 January 2021 4,564 5 View

I would like. How they can be simulated the deformational processes of valvular aortic stents??

We have a projet about TAVI

22 December 2020 7,729 1 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

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 kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View

Polymer composites suddenly solidifies?

I am making polymer composite by solvent mixing method. When I am trying to add filler solution in polymer solution it quickly get solidified. How to make them then uinform? It doesn't give time...

03 March 2021 7,540 4 View

No title

02 March 2021 3,060 3 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View