[PyMOL] APBS plugin not working on both Ubuntu & Windows 7

2015-04-13 Thread Brenton Horne
Hi, pdb2pqr.py doesn't exist in the pdb2pqr tar.gz file (for either 2.0.0 or 1.8 versions; in a previous question I was advised to use the 1.8 version) and consequently APBS tools doesn't work. I have tried turning the pdb2pqr.py.in into pdb2pqr.py by removing the "in" extension, but the APBS

Re: [PyMOL] working on mmCIF assembly support

2015-04-13 Thread Thomas Holder
Tsjerk and Ezra, thanks a lot for your thoughts. Tsjerk I see your point that an assembly is one snapshot, and for many purposes a single state object or multiple (grouped) objects will be desired. However, loading the assembly into multiple states in the first place is not a dead end and using

Re: [PyMOL] cartoon putty present in pymol

2015-04-13 Thread Sampson, Jared
Hi Wenfu - Cartoon putty representation varies the diameter of the putty tube based on the B-factor column in the loaded PDB file. In your example file, all the B-factors are 0.00. Perhaps you could use `cartoon tube` instead, which is similar to putty, but uses a single cartoon_tube_radius s

Re: [PyMOL] Pymol molecular visualisation

2015-04-13 Thread Sampson, Jared
Hi James - Here is how I would label your objects in grid_mode: # For each object, create a pseudoatom at its center of geometry to position the label pseudoatom myobj_label, myobj # Set the label text for the pseudoatom label myobj_label, "My Object" # To show the label and the object in the

[PyMOL] cartoon putty present in pymol

2015-04-13 Thread maw1
Hi pymol users, I have a pdb file, which is from the result of a molecular dynamics simulation. I want to present the structure with cartoon putty in pymol. But I can only make it cartoon putty in Macpymol 0.99 version. When I use pymol1.7 or 1.3 version, the error is like this: Extrude-Warning:

Re: [PyMOL] Cartoon visualization of per-residue txt data

2015-04-13 Thread Tsjerk Wassenaar
Hi James, No, you can't set transparency based on b-factor. As for the selections, don't use selection keywords (ss) as names. Cheers, Tsjerk On Apr 12, 2015 3:25 PM, "James Starlight" wrote: > and also a question- > how it would be possible to do something with the selection based on > the b