Answers.Body: <p>Check out gmx_trjconv - this command is in GROMACS and accepts several options where you can specify the specific single frame that you want to output/write - out to the new pdb/gro/xtc file.  <a href="https://manual.gromacs.org/current/onlinehelp/gmx-trjconv.html" rel="nofollow noreferrer">https://manual.gromacs.org/current/onlinehelp/gmx-trjconv.html</a></p>
  
Answers.ContentLicense: CC BY-SA 4.0
Answers.CreationDate: 2022-12-28T18:58:07.987Z
Answers.LastActivityDate: 2022-12-28T18:58:07.987Z
Answers.UserDisplayName: Guy Francis Mongelli
Body: <p>How can I do to extract a single frame as a pdb file from a trajectory traj.xtc file, by using MDAnalysis?</p>
  <p>I've got a universe
  u=mda.Universe('confout.gro','traj.xtc')</p>
  <p>Then I selected a residue by doing select_atoms, and I would like to extract a single frame as a pdb file</p>
  
Comments.ContentLicense: CC BY-SA 4.0
Comments.CreationDate: 2022-07-22T12:57:43.550Z
Comments.Text: Please clarify your specific problem or provide additional details to highlight exactly what you need. As it's currently written, it's hard to tell exactly what you're asking.
Comments.UserDisplayName: Community
Comments.ContentLicense: CC BY-SA 4.0
Comments.CreationDate: 2022-08-01T10:24:40.273Z
Comments.Text: Q to more involved folk in admin: why was Community bot was invoked for this, as it was a case of nobody bothering to answer because it is a boring 'please link me to command X in the documentation' request. I.e. https://docs.mdanalysis.org/stable/documentation_pages/coordinates/init.html#writers
Comments.UserDisplayName: Matteo Ferla
Tags: <python><pdb><gromacs>
Title: Extract single frame with MDAnalysis
ThreadText: # Extract single frame with MDAnalysis
  
  (Asked by: username_0 on 2022-07-22)
  
  How can I do to extract a single frame as a pdb file from a trajectory traj.xtc file, by using MDAnalysis?
  
  I've got a universe
  u=mda.Universe('confout.gro','traj.xtc')
  
  Then I selected a residue by doing select\_atoms, and I would like to extract a single frame as a pdb file
  
  **Tags:** python, pdb, gromacs
  
  > **Comments:**
  > **username_1**: Please clarify your specific problem or provide additional details to highlight exactly what you need. As it's currently written, it's hard to tell exactly what you're asking.  
  > **username_2**: Q to more involved folk in admin: why was Community bot was invoked for this, as it was a case of nobody bothering to answer because it is a boring 'please link me to command X in the documentation' request. I.e. https://docs.mdanalysis.org/stable/documentation_pages/coordinates/init.html#writers  
  
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  ## 1 answers
  
  ### Answer by username_3 on 2022-12-28. Score: 1
  
  Check out gmx\_trjconv - this command is in GROMACS and accepts several options where you can specify the specific single frame that you want to output/write - out to the new pdb/gro/xtc file. <https://manual.gromacs.org/current/onlinehelp/gmx-trjconv.html>
  
  
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