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when conducting Spliting Pocket function. I want to use my **.pdb and **.sdf file. I met a error as foolows：
we can not compute the atoms on the surface of protein, because pymol can not be imported…
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Dear Dr. Horgan:
Good morning!
I have read your paper High-throughput molecular imaging via deep learning enabled Raman spectroscopy and your code [GitHub - conor-horgan/DeepeR: DeepeR: deep lea…
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Be able to plot GDB17 along a few different axes describing how the molecules are different:
- Molecular weight vs Gravimetric Capacity
Get a better list from @HassanHarb92
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Just mentioning this here in case you were looking for an edge case to include in your testing or something like that.
The website doesn't parse this very long CIF file of this `C110 H106 Ge2 Li2 N…
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1. James A. Timmons. Division of Genetics and Molecular Medicine, King’s College London, Guy’s Hospital, Great Maze Pond, London, SE1 9RT, UK
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Get compex is involved in the insertion of tail anchored proteins into the ER membrane.
The "GO:0006890 retrograde vesicle-mediated transport, Golgi to endoplasmic reticulum" is a downstream pheno…
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Defect Description:
The **Objective** page of "Familiarization with Excitation and Emission Spectra, Mirror Image Relation and Stokes Shift" experiment of this lab, the **Virtual labs logo, Home, All…
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Can Swing JS (https://chemapps.stolaf.edu/swingjs/site/swingjs/examples/, https://sourceforge.net/projects/swingjs/) be used to make the KiNG molecular viewer available again on the MolProbity website…
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Hello,
I've been using OpenMM to run simulations of the AMOEBA14 water model in a capacitor-type set up and would like to calculate a dipole moment profile across the simulation box.
There are t…
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I like the cat illustrations you created for the GSoC blog posts. Can I remix them for a molecular modeling workshop?