Recommendations on CO2 Resistant Rocking Shaker?

A certain protocol we have developed requires the use of a Rocker/Rocking Shaker in which our dishes with cells are maintained in the incubator. The rocking is essential to the protocol but we...

09 February 2021 3,291 1 View

Do you consider it is important to vindicate Spanish as language, in scientific issues and publication of scientific articles?

03 February 2021 3,756 4 View

How to calculate the difference in the electron density of a dimer and its monomers?

Hello, I need to calculate the difference of the electron density of a dimer and the the sum of its monomers. I tried G09 without success, even using nosymm in all calculations. The problem...

15 January 2021 9,537 3 View

How to interpret hierarchical regression when a predictor is no longer significant after new variables are added?

Hello everyone: What does it mean when a variable is significant in one step but then in the next step it's no longer significant? For example, in this article...

29 November 2020 7,354 3 View

How to estimate the optimal cutpoint for a binary outcome in python?

Hello everyone, I have a dataset of diabetic patients which has been used to train an xgboost model in several outcomes such as stroke, amputation, and more. Originally we used the continuous...

21 September 2020 4,970 3 View

Does anyone has achieved the installation of gromacs plugin in PyMol, complete in Linux, with its graphic interface?

I am using Ubuntu 20.04 and I have PyMol installed, with a license. But it has been impossible to add the repository ppa:makson96/dynamics. Even downloaded from github, the package with the...

20 September 2020 6,870 1 View

How to perform power analysis for a one-way ANOVA in R when treatments variances are not exactly the same?

Hi! I've been trying to perform a power analysis for a one-way ANOVA in R using the pwr package. The equation that is employed for this is based on Cohen's f and assumes that variances among the...

16 September 2020 6,098 3 View

How do you find the electrons that occupy a particular orbital in VASP?

I think this question has already been presented here on this forum, but I was not very clear. I'm running VASP calculations involving a mixture of transition metal atoms like Fe, Mn and Co in...

07 September 2020 7,228 3 View

Why doesn't my dbRDA show all the environmental variables considered?

I am performing a db-RDA in R using the package Vegan and the function capscale. I have taken into account 24 environmental factors but the program only considerate 7 of this factors. I have 54...

26 August 2020 919 6 View

How to give to an image color a single representative value?

Hello, I am trying to associate the color of an image to a single numerical value. Images (see attach) correspond to different aloe samples that change in color according to the degree of...

15 July 2020 192 4 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

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

Does anyone know HRM channel in a 2 plex QIAGEN Rotor- Gene Q qPCR can be used as a separate channel?

I am going to have 3 different probes in my qPCR work that I am going to do. But I realized that the machine we have in the lab is a Rotor-Gene Q 2plex HRM Platform, saying it has green, yellow,...

01 March 2021 8,544 1 View

In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein?

Hi In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein? I got this error in the add-ion stage: Fatal error "./ amber99sb-ildn-HHH.ff / force...

01 March 2021 8,747 4 View