Re: [ccp4bb] Does anyone know of a "CHARMM bulletin board" ?

2021-05-21 Thread Arunabh Athreya
Hi Not sure why ACE didn't work, but if you change the nomenclature of HIS to HSD it should work. However, if it's getting too troublesome, you can always use CHARMM-GUI online server for input generation. See if it helps. Arunabh Get Outlook for Android

Re: [ccp4bb] Advice on DNA negative staining

2020-08-03 Thread Arunabh Athreya
Hi Meytal Do you have an EM image snapped from your negative staining sample? Get Outlook for Android To unsubscribe from the CCP4BB list, click the following link:

Re: [ccp4bb] CCP4-7.1 Crash in CentOS 8.1

2020-05-25 Thread Arunabh Athreya
/software/ccp4-7.1/bin add -v to the first line. For example: #!/bin/sh -v Save the file and run it again and see where does the error pop up. Hope it helps. Arunabh Athreya Penmatsa Lab, AN111 Molecular Biophysics Unit Indian Institute of Science, CV Raman Ave. Bengaluru-560012 On May 25 2020, at 12

Re: [ccp4bb] Optimization from needle shaped crystals

2019-09-07 Thread Arunabh Athreya
You could always make a 96 or a 24 well narrow spectrum screen around this condition, and then check if the morphology changes or not. What I have seen is that they work better if you tweak your drop ratios too. After such procedures, you could try using Hamptons Additive screen on top of your

Re: [ccp4bb] PyMOL now packaged as a snap on Linux

2019-05-17 Thread Arunabh Athreya
Thanks for sharing this. Get Outlook for Android From: CCP4 bulletin board on behalf of David Schuller Sent: Thursday, May 16, 2019 11:41:19 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] PyMOL now packaged as a snap on Linux It

Re: [ccp4bb] Cation-channel pore representation for solvent accessible area

2019-01-23 Thread Arunabh Athreya
Hi Ashok Have you tried using Caver plugin in Pymol? It interprets and displays possible channels of solvent accessible areain a given PDB. It is much more interactive, and you can choose any one of the results it provides. There's also a standalone software available, but I'd prefer the