Hi Tsjerk,
You're right. It's just that the last time I used a sed or awk script of my own composition was in college, which is ~13 years ago. :))
So, this is still an undertaking for someone like me. But yes, what you said is well taken. Lack of knowledge/desire to rename atoms in text files shouldn't hinder research.
I do think that having a person such as yourself of Justin on my team to implement what I have in mind would speed things up tremendously, but noone seems to be interested, hint-hint. ;)
Thanks,
Alex
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Hi Alex, Writing a sed oneliner is not the same as writing a renaming script. I commonly use them to process PDB files in some way and it's surprising how much you can do without scripting. Cheers, Tsjerk On Apr 3, 2015 7:13 PM, "Alex" <nedoma...@gmail.com> wrote: Gentlemen, Building a script to rename the atom is obviously an option. I was just wondering if I missed something, e.g. a VMD plugin that could do it quickly. As far as google searching, I have done that, and I have found some things (like the make-NA server, or this: http://smog-server.org/cgi-bin/GenTopGro.pl). This is still not quite what I was aiming for. Hence, my initial question. I didn't mean to be snippy, but I did try searching, believe me. On the other hand, I assume that you are much better versed in the problem at hand, so then maybe you'd be able to appreciate info I simply ignored. Obviously, I welcome anything you can suggest. If this boils down to me writing a renaming script, so be it. :) Thanks, Alex
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Best regards,
Alex mailto:nedoma...@gmail.com
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