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![image](https://user-images.githubusercontent.com/39609125/156478427-524d85df-13eb-498b-849e-5b35e93746ff.png)
As shown in the picture, I want to know how to calculate the real-valued scaling fact…
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Dear BioSimSpace developers:
Thanks for the detailed tutorials provided here, it offers a good starting point for beginners like me to start _simulation_. Followed the tutorial, I've conduc…
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### Setup
I am reporting a problem with Biopython version, Python version, and operating
system as follows:
```python
import sys; print(sys.version)
import platform; print(platform.python_imp…
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Hi, I would like to average PDB structure from some frames in trajectory. But I couldn't do this using trajectory.superimpose. How can I do get average pdb structure of the certain frames?
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Running ACOLITE processing - Generic GitHub Clone
Run ID - 20220731_171156
Starting conversion of 1 scenes
Starting conversion of /home/heh/acolite/landsat/LC08_L1TP_119043_20210114_20210308_01_T1
…
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Hi. I use `rna_calc_inf.py -t native_1fir.pdb pred_1fir.pdb -m 1` and the output `inf.csv` shows such error..
```python
target,fn,inf_all,inf_stack,inf_WC,inf_nWC,sns_WC,ppv_WC,sns_nWC,ppv_nWC
sv:…
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We need to decide how to generate conformations for each molecule. We want a diverse set for each one, and we want to include both low energy and high energy conformations (keeping in mind that low e…
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If I look at e.g. indexing output I see
```
RMSDs by experiment:
+-------+--------+----------+----------+------------+
| Exp | Nref | RMSD_X | RMSD_Y | RMSD_Z |
| id | | …
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On Windows:
```
C:\Users\11\Downloads\calibur.win32 (1)>calibur.exe -o pdblist.txt
Filtering on
Signature mode on
Using chains 'A', 'C', ' ' in PDB files
Read 60 decoy names
Estimating threshol…