Can I batch process LigPlot?

09 October 2016 4,302 1 View

Is research on Helicobacter pylori banned in India?

06 July 2016 2,890 3 View

How can I separate silver nanoparticle bound phytochemicals from unbound phytochemicals during green synthesis?

31 December 2014 4,699 4 View

How can I prove the protein HPr is a good drug target?

By subtractive genomics, I have obtained histidine-containing phosphocarrier protein (HPr) as one of the drug targets in a streptococcus strain. It is non-homologous to human proteome. Several...

10 November 2014 5,293 6 View

How can I edit a pbd file and again save it in pbd format?

I want to edit a pdb file by removing the unrequited hetroatoms and chains and again save it in pdb format. Can anyone suggest some user friendly tools to do this?

05 June 2014 5,753 5 View

What is the meaning of ensemble in terms of protein structure?

What is the meaning of the word ensemble in terms of protein structure? Many times it's also used in combination with the concept of druggability of protein. I am unable to understand what it...

10 November 2013 2,784 5 View

What are the minimum components of a bioinformatics thesis?

I am about to start with my thesis writing in bioinformatics. I've been told to follow with IMRaD format for writing. Could you suggest me a few important points in this regard? Kindly attach any...

10 November 2013 4,557 3 View

What is the best software for drawing a VENN diagram?

I want to draw Venn diagram for 'n' number of sets data using symmetrical ellipses like this: http://en.wikipedia.org/wiki/File:Symmetrical_5-set_Venn_diagram.svg and not Edwards' Venn diagrams...

10 November 2013 2,247 32 View

Can anyone recommend a gene Ontology annotation for the protein fasta?

I am in search of a FREE tool (or at least free for academics) that can extract GO annotation for a given protein fasta sequence just like Blast2GO?

06 July 2013 2,379 10 View

Can someone advise on the best methods for pathway simulation and quantification?

I have 6 unique pathogen proteins of interest which have unique pathway when compared to host. I want to simulate and quantify the effects of all of these in both presence and absence of them....

06 July 2013 4,089 1 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 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

MD MOE RMSD

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

07 August 2021 0 0 View

MGL tools

20 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

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

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 View