Re: [PyMOL] Problem with 'byring' selection

2017-06-02 Thread Tsjerk Wassenaar
Hi Vijay, It is logic. 'byring elem N' selects all nitrogens and then expands the selection to include the rings in which these participate. 'elem N and byring elem N' does the same, but then intersects (and) to extract only nitrogens. But that is the same as 'elem N'. If you want to have the nitr

[PyMOL] Problem with 'byring' selection

2017-06-02 Thread Vijay Masand
Dear PyMOL Users, I am using PyMOL 1.8.6 on Windows 10 (64 bit) with Python 2.7.12. I was working with small molecule (ClC1[OH+]C(Cl)=CN=C1C(=O)N([NH+]1CCC(SC1)F)CCN). When I tried to select all Nitrogen atoms which are exclusively in the ring only, I tried following command: abc=cmd.select('byring

Re: [PyMOL] [External] Re: Unable to initialize plugin annocryst

2017-06-02 Thread Luo, Jonathan Z.
Hi Thomas, Thanks for the reply. Didn't work, it just gave the same error message but with "idlelib.TreeWidget" instead of "modules.idlelib.TreeWidget" Jon From: Thomas Holder Sent: Friday, June 2, 2017 5:52 AM To: Luo, Jonathan Z. Cc: pymol-users@lists.so

Re: [PyMOL] Unable to initialize plugin annocryst

2017-06-02 Thread Thomas Holder
Hi Jon, try this: In file "annocryst.py" on line 22, replace: from modules.idlelib.TreeWidget import TreeItem, TreeNode with: from idlelib.TreeWidget import TreeItem, TreeNode Hope that works for you. Cheers, Thomas > On Jun 1, 2017, at 7:03 PM, Luo, Jonathan Z. wrote: > > Hello, > I've

[PyMOL] Unable to initialize plugin annocryst

2017-06-02 Thread Luo, Jonathan Z.
Hello, I've just installed pymol and am running into this error at startup: No module named modules.idlelib.TreeWidget ?Unable to initialize plugin 'annocryst' (pmg_tk.startup.annocryst) When I try to import: PyMOL>import pmg_tk.startup.annocryst Traceback (most recent call last): File